5-fluorocytosine

CAS Number: 2022-85-7

Molecular Mass: 129.09 g/mol

Formula: C₄H₄FN₃O

Smiles: Nc1nc(=O)[nH]cc1F

Synonymes:

5-fluorocytosine, 5-Fluorocytosine, flucytosine, 2022-85-7, Fluorocytosine, Ancobon, Ancotil, Fluocytosine, 5-Fluorocystosine, Flucytosin, 5-Fluorocytosin, Fluorcytosine, Alcobon, Flucytosinum, 4-Amino-5-fluoropyrimidin-2(1H)-one, Ro 2-9915, Flucitosina, Cytosine, 5-fluoro-, 5-Flucytosine, 4-Amino-5-fluoro-2(1H)-pyrimidinone, 2(1H)-Pyrimidinone, 4-amino-5-fluoro-, 2-Hydroxy-4-amino-5-fluoropyrimidine, 6-amino-5-fluoro-1H-pyrimidin-2-one, Flourocytosine, Ancoban, CHEBI:5100, Ro-2-9915, DTXSID3023059, Ro-29915, NSC-103805, 6-amino-5-fluoro-1,2-dihydropyrimidin-2-one, NSC103805, D83282DT06, DTXCID403059, RefChem:58561, D01AE21, J02AX01, 217-968-7, 5-FC, 4-amino-5-fluoropyrimidin-2-ol, 117969-88-7, 5-fluoro cytosine, 5-Flurocytosine, Ro 29915 E/265601, 2-Pyrimidinol, 4-amino-5-fluoro- (9CI), Ancobon (TN), 2(1H)-Pyrimidinone, 6-amino-5-fluoro-, 130256-61-0, Flucytosine (Ancobon), 4-Amino-5-fluoro-2-hydroxypyrimidine, 2-Pyrimidinol, 4-amino-5-fluoro-, MFCD00006035, 6-amino-5-fluoropyrimidin-2(1H)-one, NSC 103805, MLS000069463, 4-AMINO-5-FLUORO-2(1H)-PYRIMIDINE, 2(1H)-Pyrimidinone, 5-fluoro-3,4-dihydro-4-imino- (9CI), 4-amino-5-fluoro-1,2-dihydropyrimidin-2-one, 5-FLUORO-4-IMINO-1,2,3,4-TETRAHYDROPYRIMIDIN-2-ONE, s1666, Flucytosine [USAN), 4-Amino-5-fluoro-1H-pyrimidin-2-one, NCGC00016599-01, Flucitosina [DCIT], SMR000059047, ST028644, 6-amino-5-fluoro-3-hydropyrimidin-2-one, CAS-2022-85-7, FLUCYTOSINE [USAN], Flucytosinum [INN-Latin], Flucytosone, Ancotyl, pyrimidine, 4-amino-5-fluoro-2-hydroxy-, HSDB 3082, 6-Amino-2-oxo-5-fluoropyrimidine, EINECS 217-968-7, 6-Amino-5-fluoro-2(1H)-pyrimidinone, flucytosina, 2(1H)-Pyrimidinone, 4-amino-5-fluoro-), Flucytosine RS, Flucytosine CRS, 4-AMINO-2-HYDROXY-5-FLUOROPYRIMIDINE, 5-fluorocytocine, UNII-D83282DT06, 5-fluoro-cytosine, 4-Amino-5-fluoro-2-hyroxypyrimidine, GL663142 & 5FC, Flucytosine [USAN:USP:INN:BAN:JAN], Flucytosine (Standard), CPD000059047, Opera_ID_178, 5-fluorocytosine Form I, FLUCYTOSINE [MI], Prestwick0_000934, Prestwick1_000934, Prestwick2_000934, Prestwick3_000934, FLUCYTOSINE [INN], FLUCYTOSINE [JAN], 5-fluorocytosine Form II, F0321, FLUCYTOSINE [HSDB], Epitope ID:613428, EC 217-968-7, 5-Fluorocytosine (5-FC), Flucytosine 100 microg/mL in Acetonitrile:Water, WLN: T6MVNJ DZ EF, CHEMBL1463, FLUCYTOSINE [MART.], SCHEMBL24063, SCHEMBL24064, BSPBio_000868, FLUCYTOSINE [USP-RS], FLUCYTOSINE [WHO-DD], FLUCYTOSINE [WHO-IP], MLS000759519, MLS001076503, MLS001424013, Flucytosine, 5-Fluorocytosine, SCHEMBL439755, SCHEMBL439756, SPBio_003037, BPBio1_000956, GL663142 & 4-Amino-5-fluoropyrimidin-2(1H)-one, orb1310101, orb3141367, SCHEMBL1223489, SCHEMBL4434518, Flucytosine (JP18/USP/INN), SCHEMBL14696800, HY-B0139R, FLUCYTOSINE [ORANGE BOOK], 4-amino-5-fluoro-pyrimidin-2-ol, FLUCYTOSINE [EP MONOGRAPH], FLUCYTOSINE [USP IMPURITY], GLXC-21527, HMS1570L10, HMS2051M04, HMS2093J05, HMS2097L10, HMS2233I14, HMS3373L05, HMS3393M04, HMS3655G17, HMS3714L10, HMS5079P08, Pharmakon1600-01505429, 5-FLUOROCYTOSINE [WHO-IP], FLUCYTOSINE [USP MONOGRAPH], Flucytosine 2.0 mg/ml in Methanol, FLUCYTOSINUM [WHO-IP LATIN], HY-B0139, Tox21_110515, BDBM50248003, EBC-04031, EBC-26058, MSK000319-100MW, NSC759130, SBB000061, STK292386, AKOS004912683, AKOS005063821, AKOS015896898, AKOS030241326, Flucytosine for system suitability CRS, Tox21_110515_1, CCG-100837, CCG-213434, CS-1935, DB01099, FF02813, GS-5578, KS-1060, NC00087, NSC-759130, SB57097, Cytosine, 5-fluoro- (6CI,7CI,8CI), NCGC00016599-02, NCGC00016599-04, NCGC00016599-05, AC-11748, BP-30254, EMTRICITABINE IMPURITY E [WHO-IP], NCI60_000093, SY004438, DB-005380, DB-268955, DB-271174, AB00513969, NS00000532, SW197278-3, D00323, EN300-117264, H10295, AB00444223-16, AB00513969-02, AB00513969_03, AB00513969_04, 5-Fluorocytosine, Vetec(TM) reagent grade, 99%, F006215, Flucytosine Solution in Methanol/Water, 100ug/mL, Q238490, SR-01000721885, SR-01000721885-5, BRD-K82143716-001-15-7, BRD-K82143716-001-19-9, BRD-K82143716-001-20-7, 4-AMINO-5-FLUOROPYRIMIDIN-2(1H)-ONE [WHO-IP], Z1201621875, Flucytosine, European Pharmacopoeia (EP) Reference Standard, 2(1H)-PYRIMIDINONE, 5-FLUORO-3,4-DIHYDRO-4-IMINO-, Flucytosine, United States Pharmacopeia (USP) Reference Standard, Flucytosine, Pharmaceutical Secondary Standard, Certified Reference Material, Flucytosine for system suitability, European Pharmacopoeia (EP) Reference Standard, 1LD

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1,4-Dioxane	283.15	-	0.01733	[449]
1,4-Dioxane	288.15	-	0.02301	[449]
1,4-Dioxane	293.15	-	0.0291	[449]
1,4-Dioxane	298.15	-	0.03569	[449]
1,4-Dioxane	303.15	-	0.04225	[449]
1,4-Dioxane	308.15	-	0.05111	[449]
1,4-Dioxane	313.15	-	0.06178	[449]
1,4-Dioxane	318.15	-	0.07483	[449]
1,4-Dioxane	323.15	-	0.0889	[449]
1-Butanol	283.15	-	0.4019	[449]
1-Butanol	288.15	-	0.4706	[449]
1-Butanol	293.15	-	0.563	[449]
1-Butanol	298.15	-	0.6693	[449]
1-Butanol	303.15	-	0.792	[449]
1-Butanol	308.15	-	0.937	[449]
1-Butanol	313.15	-	1.089	[449]
1-Butanol	318.15	-	1.263	[449]
1-Butanol	323.15	-	1.472	[449]
1-Propanol	283.15	-	0.3878	[449]
1-Propanol	288.15	-	0.4724	[449]
1-Propanol	293.15	-	0.5772	[449]
1-Propanol	298.15	-	0.6976	[449]
1-Propanol	303.15	-	0.8357	[449]
1-Propanol	308.15	-	0.9811	[449]
1-Propanol	313.15	-	1.147	[449]
1-Propanol	318.15	-	1.333	[449]
1-Propanol	323.15	-	1.545	[449]
Acetone	283.15	-	0.123	[449]
Acetone	288.15	-	0.1526	[449]
Acetone	293.15	-	0.1879	[449]
Acetone	298.15	-	0.2278	[449]
Acetone	303.15	-	0.2743	[449]
Acetone	308.15	-	0.3305	[449]
Acetone	313.15	-	0.3817	[449]
Acetone	318.15	-	0.4626	[449]
Acetone	323.15	-	0.5389	[449]
Acetonitrile	283.15	-	0.017	[449]
Acetonitrile	288.15	-	0.0238	[449]
Acetonitrile	293.15	-	0.03223	[449]
Acetonitrile	298.15	-	0.04323	[449]
Acetonitrile	303.15	-	0.05409	[449]
Acetonitrile	308.15	-	0.0684	[449]
Acetonitrile	313.15	-	0.08561	[449]
Acetonitrile	318.15	-	0.107	[449]
Acetonitrile	323.15	-	0.1336	[449]
Dimethyl sulfoxide	283.15	-	10.32	[449]
Dimethyl sulfoxide	288.15	-	11.23	[449]
Dimethyl sulfoxide	293.15	-	12.36	[449]
Dimethyl sulfoxide	298.15	-	13.74	[449]
Dimethyl sulfoxide	303.15	-	15.23	[449]
Dimethyl sulfoxide	308.15	-	16.87	[449]
Dimethyl sulfoxide	313.15	-	18.6	[449]
Dimethyl sulfoxide	318.15	-	20.65	[449]
Dimethyl sulfoxide	323.15	-	23.08	[449]
Dimethylformamide	283.15	-	1.917	[449]
Dimethylformamide	288.15	-	2.148	[449]
Dimethylformamide	293.15	-	2.443	[449]
Dimethylformamide	298.15	-	2.817	[449]
Dimethylformamide	303.15	-	3.2	[449]
Dimethylformamide	308.15	-	3.645	[449]
Dimethylformamide	313.15	-	4.147	[449]
Dimethylformamide	318.15	-	4.695	[449]
Dimethylformamide	323.15	-	5.359	[449]
Ethyl acetate	283.15	-	0.00468	[449]
Ethyl acetate	288.15	-	0.00598	[449]
Ethyl acetate	293.15	-	0.00818	[449]
Ethyl acetate	298.15	-	0.0113	[449]
Ethyl acetate	303.15	-	0.01484	[449]
Ethyl acetate	308.15	-	0.01887	[449]
Ethyl acetate	313.15	-	0.02477	[449]
Ethyl acetate	318.15	-	0.03122	[449]
Ethyl acetate	323.15	-	0.03934	[449]
Isopropanol	283.15	-	0.2732	[449]
Isopropanol	288.15	-	0.3466	[449]
Isopropanol	293.15	-	0.4274	[449]
Isopropanol	298.15	-	0.5268	[449]
Isopropanol	303.15	-	0.6373	[449]
Isopropanol	308.15	-	0.7649	[449]
Isopropanol	313.15	-	0.9049	[449]
Isopropanol	318.15	-	1.056	[449]
Isopropanol	323.15	-	1.236	[449]
Methyl ethyl ketone	283.15	-	0.0638	[449]
Methyl ethyl ketone	288.15	-	0.08572	[449]
Methyl ethyl ketone	293.15	-	0.1116	[449]
Methyl ethyl ketone	298.15	-	0.1398	[449]
Methyl ethyl ketone	303.15	-	0.1723	[449]
Methyl ethyl ketone	308.15	-	0.211	[449]
Methyl ethyl ketone	313.15	-	0.2588	[449]
Methyl ethyl ketone	318.15	-	0.3106	[449]
Methyl ethyl ketone	323.15	-	0.3747	[449]

Molecule 3D descriptors

Descriptor	Value
PMI1	162.3091
PMI2	353.2815
PMI3	515.1417
NPR1	0.3151
NPR2	0.6858
RadiusOfGyration	1.9980
InertialShapeFactor	0.0042
Eccentricity	0.9491
Asphericity	0.3523
SpherocityIndex	0.0056
PBF	0.0715