Pyrimethamine

CAS Number: 58-14-0

Molecular Mass: 248.71 g/mol

Formula: C₁₂H₁₃ClN₄

Smiles: CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1

Synonymes:

Pyrimethamine, pyrimethamine, 58-14-0, Daraprim, Chloridine, 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine, Chloridin, Diaminopyritamin, Ethylpyrimidine, Pirimecidan, Pirimetamin, Pirimetamina, Chloridyn, Darachlor, Erbaprelina, Khloridin, Tindurin, Malocid, Primethamine, Pyrimethamin, 5-(4-CHLOROPHENYL)-6-ETHYL-2,4-PYRIMIDINEDIAMINE, Pyrimethaminum, 2,4-Pyrimidinediamine, 5-(4-chlorophenyl)-6-ethyl-, Pyremethamine, 2,4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine, 2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine, TCMDC-125860, RP 4753, 2,4-Diamino-5-chlorophenyl-6-ethylpyrimidine, BW 50-63, NCI-C01683, 5-(4'-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine, NSC-3061, GNF-Pf-5586, WR 2978, 5-(4-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine, DTXSID9021217, 4753 R.P., NSC 3061, WR-2978, CHEBI:8673, Z3614QOX8W, 2,4-Pyrimidinediamine, 5-(p-chlorophenyl)-6-ethyl-, NSC3061, Pyrimidine, 2,4-diamino-5-(p-chlorophenyl)-6-ethyl-, RP-4753, DTXCID601217, 5-25-12-00255 (Beilstein Handbook Reference), RefChem:55950, P01BD01, 200-364-2, Malocide, Darapram, Daraprime, Malacid, Maloprim, MFCD00057350, TCMDC-123831, CHEMBL36, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, MLS000028606, MLS002701881, Daraclor, 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine, CAS-58-14-0, NCGC00016256-08, SMR000058714, Tinduring, Pirimetamina [Spanish], S2006, CP6, Pirimetamina [INN-Spanish], Pyrimethaminum [INN-Latin], BRD9204, BRD-9204, Daraprim (TN), CCRIS 546, Pyrimethamine (Pyr), SR-01000003150, EINECS 200-364-2, BRN 0219864, UNII-Z3614QOX8W, CRL-8131 & Pyrimethamine, CRL-8142 & Pyrimethamine, Lactoferrin B & Pyrimethamine, Lactoferrin H & Pyrimethamine, AI3-25005, Pyrimethamine (JAN/USP/INN), Pyrimethamine RS, HSDB 8042, EXR-101, Pyrimethamine CRS, Pyrimethamine [USP:INN:BAN:JAN], Prestwick_504, BW 5063, Daraclor (Salt/Mix), Spectrum_000906, 4km0, CPD000058714, Pyrimethamine (Standard), Opera_ID_1437, Prestwick0_000037, Prestwick1_000037, Prestwick2_000037, Prestwick3_000037, Spectrum2_000886, Spectrum3_001701, Spectrum4_000494, Spectrum5_001447, PYRIMETHAMINE [MI], Epitope ID:613391, PYRIMETHAMINE [INN], PYRIMETHAMINE [JAN], cid_4993, NCIOpen2_008313, PYRIMETHAMINE [IARC], BIDD:PXR0173, SCHEMBL25129, BSPBio_000133, BSPBio_003282, KBioGR_001007, KBioSS_001386, PYRIMETHAMINE [VANDF], MLS001148621, MLS002454446, BIDD:GT0149, DivK1c_000652, PYRIMETHAMINE [MART.], SPECTRUM1500520, SPBio_000672, SPBio_002054, PYRIMETHAMINE [USP-RS], PYRIMETHAMINE [WHO-DD], PYRIMETHAMINE [WHO-IP], BPBio1_000147, GTPL4800, orb1310237, SCHEMBL29381161, BDBM18512, HMS502A14, KBio1_000652, KBio2_001386, KBio2_003954, KBio2_006522, KBio3_002502, MSK7147, NINDS_000652, Pirimecidan, Pirimetamin, RP 4753, GLXC-07764, HMS1568G15, HMS1920N12, HMS2092E13, HMS2095G15, HMS2235A17, HMS3259C04, HMS3371L07, HMS3655D09, HMS3675P11, HMS3712G15, HMS3743O05, HMS3871I03, HMS5080P13, Pharmakon1600-01500520, PYRIMETHAMINE [GREEN BOOK], PYRIMETHAMINE [ORANGE BOOK], 2, 5-(p-chlorophenyl)-6-ethyl-, PXB93699, 2, 5-(4-chlorophenyl)-6-ethyl-, MSK7147-1000AD, PYRIMETHAMINE [EP MONOGRAPH], Tox21_110332, Tox21_201834, Tox21_300129, CCG-39626, EBC-00583, HY-18062R, MSK7147-100A, NSC757306, PYRIMETHAMINE [USP MONOGRAPH], PYRIMETHAMINUM [WHO-IP LATIN], AKOS015892534, FANSIDAR COMPONENT PYRIMETHAMINE, Tox21_110332_1, AB02313, AC-7879, CS-1717, DB00205, FP27346, KS-5223, NC00528, NSC-757306, IDI1_000652, NCGC00016256-01, NCGC00016256-02, NCGC00016256-03, NCGC00016256-04, NCGC00016256-05, NCGC00016256-06, NCGC00016256-07, NCGC00016256-09, NCGC00016256-10, NCGC00016256-11, NCGC00016256-12, NCGC00016256-13, NCGC00016256-14, NCGC00016256-16, NCGC00016256-17, NCGC00023188-03, NCGC00023188-04, NCGC00023188-05, NCGC00023188-06, NCGC00023188-07, NCGC00254199-01, NCGC00259383-01, WLN: T6N CNJ BZ DZ ER DG& F2, HY-18062, NCI60_002604, SBI-0051500.P003, DB-053158, AB00052084, NS00001824, P2037, SW196698-3, C07391, D00488, EN300-118717, MLS-0002822.0001, AB00052084-21, AB00052084_22, AB00052084_25, 2,4-diamino-5(4-chlorophenyl)-6-ethylpyrimidine, F211965, L000713, Pyrimethamine Solution in Acetonitrile, 100ug/mL, Pyrimethamine, VETRANAL(TM), analytical standard, Pyrimidine,4-diamino-5-(p-chlorophenyl)-6-ethyl-, Q421072, 2,4,-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine, 2,4-diamino-5-(4-chloro-phenyl)-6-ethylpyrimidine, 2,4-diamino-6-ethyl-5-(4-chlorophenyl)pyrimidine, SR-01000003150-2, SR-01000003150-4, BRD-K88429204-001-05-4, BRD-K88429204-001-18-7, BRD-K88429204-001-21-1, BRD-K88429204-001-33-6, BRD-K88429204-001-34-4, BRD-K88429204-001-35-1, BRD-K88429204-001-36-9, Pyrimethamine Solution in Acetonitrile/DMSO, 1000ug/mL, Z1515385085, Pyrimethamine, European Pharmacopoeia (EP) Reference Standard, Pyrimethamine, United States Pharmacopeia (USP) Reference Standard

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Butanol	278.15	-	2.212	[338]
1-Butanol	283.15	-	2.725	[338]
1-Butanol	288.15	-	3.383	[338]
1-Butanol	293.15	-	3.848	[338]
1-Butanol	298.15	-	4.448	[338]
1-Butanol	303.15	-	5.174	[338]
1-Butanol	308.15	-	6.103	[338]
1-Butanol	313.15	-	7.022	[338]
1-Butanol	318.15	-	8.436	[338]
1-Propanol	278.15	-	2.405	[338]
1-Propanol	283.15	-	3.148	[338]
1-Propanol	288.15	-	3.959	[338]
1-Propanol	293.15	-	4.486	[338]
1-Propanol	298.15	-	5.033	[338]
1-Propanol	303.15	-	5.89	[338]
1-Propanol	308.15	-	6.934	[338]
1-Propanol	313.15	-	8.236	[338]
1-Propanol	318.15	-	9.69	[338]
2-Butanol	278.15	-	1.094	[338]
2-Butanol	283.15	-	1.517	[338]
2-Butanol	288.15	-	1.803	[338]
2-Butanol	293.15	-	2.231	[338]
2-Butanol	298.15	-	2.868	[338]
2-Butanol	303.15	-	3.49	[338]
2-Butanol	308.15	-	4.378	[338]
2-Butanol	313.15	-	5.265	[338]
2-Butanol	318.15	-	5.981	[338]
Acetone	278.15	-	3.815	[338]
Acetone	283.15	-	4.305	[338]
Acetone	288.15	-	5.028	[338]
Acetone	293.15	-	5.798	[338]
Acetone	298.15	-	6.395	[338]
Acetone	303.15	-	7.189	[338]
Acetone	308.15	-	8.017	[338]
Acetone	313.15	-	8.957	[338]
Acetone	318.15	-	10.78	[338]
Acetonitrile	278.15	-	0.4414	[338]
Acetonitrile	283.15	-	0.5211	[338]
Acetonitrile	288.15	-	0.7056	[338]
Acetonitrile	293.15	-	0.9372	[338]
Acetonitrile	298.15	-	1.27	[338]
Acetonitrile	303.15	-	1.789	[338]
Acetonitrile	308.15	-	2.175	[338]
Acetonitrile	313.15	-	2.746	[338]
Acetonitrile	318.15	-	3.502	[338]
Ethanol	278.15	-	2.615	[338]
Ethanol	283.15	-	3.488	[338]
Ethanol	288.15	-	4.168	[338]
Ethanol	293.15	-	4.661	[338]
Ethanol	298.15	-	5.21	[338]
Ethanol	303.15	-	6.191	[338]
Ethanol	308.15	-	7.619	[338]
Ethanol	313.15	-	9.18	[338]
Ethanol	318.15	-	10.56	[338]
Ethyl acetate	278.15	-	3.673	[338]
Ethyl acetate	283.15	-	3.899	[338]
Ethyl acetate	288.15	-	4.363	[338]
Ethyl acetate	293.15	-	4.936	[338]
Ethyl acetate	298.15	-	5.509	[338]
Ethyl acetate	303.15	-	6.193	[338]
Ethyl acetate	308.15	-	7.234	[338]
Ethyl acetate	313.15	-	8.284	[338]
Ethyl acetate	318.15	-	9.574	[338]
Isobutanol	278.15	-	1.853	[338]
Isobutanol	283.15	-	2.46	[338]
Isobutanol	288.15	-	2.986	[338]
Isobutanol	293.15	-	3.38	[338]
Isobutanol	298.15	-	3.754	[338]
Isobutanol	303.15	-	4.465	[338]
Isobutanol	308.15	-	5.273	[338]
Isobutanol	313.15	-	6.306	[338]
Isobutanol	318.15	-	7.216	[338]
Isopropanol	278.15	-	0.7736	[338]
Isopropanol	283.15	-	1.062	[338]
Isopropanol	288.15	-	1.491	[338]
Isopropanol	293.15	-	1.854	[338]
Isopropanol	298.15	-	2.293	[338]
Isopropanol	303.15	-	2.747	[338]
Isopropanol	308.15	-	3.343	[338]
Isopropanol	313.15	-	3.971	[338]
Isopropanol	318.15	-	4.82	[338]
Methanol	278.15	-	5.343	[338]
Methanol	283.15	-	6.856	[338]
Methanol	288.15	-	8.114	[338]
Methanol	293.15	-	9.307	[338]
Methanol	298.15	-	10.77	[338]
Methanol	303.15	-	12.33	[338]
Methanol	308.15	-	14.34	[338]
Methanol	313.15	-	16.72	[338]
Methanol	318.15	-	19.87	[338]
Methyl acetate	278.15	-	1.192	[338]
Methyl acetate	283.15	-	1.532	[338]
Methyl acetate	288.15	-	1.941	[338]
Methyl acetate	293.15	-	2.545	[338]
Methyl acetate	298.15	-	3.267	[338]
Methyl acetate	303.15	-	3.933	[338]
Methyl acetate	308.15	-	4.85	[338]
Methyl acetate	313.15	-	5.688	[338]
Methyl acetate	318.15	-	6.973	[338]
Propyl acetate	278.15	-	1.814	[338]
Propyl acetate	283.15	-	2.088	[338]
Propyl acetate	288.15	-	2.421	[338]
Propyl acetate	293.15	-	2.955	[338]
Propyl acetate	298.15	-	3.317	[338]
Propyl acetate	303.15	-	3.856	[338]
Propyl acetate	308.15	-	4.456	[338]
Propyl acetate	313.15	-	5.125	[338]
Propyl acetate	318.15	-	6.071	[338]
isopropyl acetate	278.15	-	1.268	[338]
isopropyl acetate	283.15	-	1.549	[338]
isopropyl acetate	288.15	-	1.846	[338]
isopropyl acetate	293.15	-	2.277	[338]
isopropyl acetate	298.15	-	2.727	[338]
isopropyl acetate	303.15	-	3.259	[338]
isopropyl acetate	308.15	-	3.849	[338]
isopropyl acetate	313.15	-	4.681	[338]
isopropyl acetate	318.15	-	5.317	[338]

Molecule 3D descriptors

Descriptor	Value
PMI1	528.5499
PMI2	2340.5095
PMI3	2647.3749
NPR1	0.1997
NPR2	0.8841
RadiusOfGyration	3.3301
InertialShapeFactor	0.0017
Eccentricity	0.9799
Asphericity	0.5170
SpherocityIndex	0.3049
PBF	0.7912