Trimethoprim

Compound Structure

CAS Number: 738-70-5

Molecular Mass: 290.32 g/mol

Formula: C14H18N4O3

Smiles: COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Butanol 276.35 - 0.5058 [358]
1-Butanol 282.63 - 0.8124 [358]
1-Butanol 287.96 - 1.144 [358]
1-Butanol 292.84 - 1.5 [358]
1-Butanol 298.46 - 2.005 [358]
1-Butanol 303.72 - 2.652 [358]
1-Butanol 308.84 - 3.309 [358]
1-Butanol 313.36 - 4.127 [358]
1-Butanol 318.45 - 5.436 [358]
1-Butanol 323.73 - 7.245 [358]
1-Butanol 329.21 - 9.397 [358]
1-Butanol 333.73 - 11.82 [358]
1-Propanol 277.35 - 1.095 [358]
1-Propanol 283.63 - 1.287 [358]
1-Propanol 288.97 - 1.615 [358]
1-Propanol 294.05 - 2.059 [358]
1-Propanol 298.93 - 2.616 [358]
1-Propanol 303.84 - 3.329 [358]
1-Propanol 308.44 - 4.171 [358]
1-Propanol 314.54 - 5.626 [358]
1-Propanol 319.17 - 7.062 [358]
1-Propanol 323.48 - 8.72 [358]
1-Propanol 328.57 - 11.18 [358]
1-Propanol 334.15 - 14.62 [358]
2-Butanol 276.85 - 0.4926 [358]
2-Butanol 283.66 - 0.5714 [358]
2-Butanol 290.08 - 0.9518 [358]
2-Butanol 294.67 - 1.331 [358]
2-Butanol 298.45 - 1.767 [358]
2-Butanol 303.74 - 2.369 [358]
2-Butanol 308.84 - 3.127 [358]
2-Butanol 313.35 - 4.069 [358]
2-Butanol 318.46 - 5.303 [358]
2-Butanol 323.56 - 7.07 [358]
2-Butanol 328.66 - 8.841 [358]
2-Butanol 333.74 - 11.44 [358]
Acetone 276.94 - 1.844 [358]
Acetone 282.12 - 2.171 [358]
Acetone 288.62 - 2.642 [358]
Acetone 292.94 - 3.006 [358]
Acetone 297.96 - 3.494 [358]
Acetone 304.17 - 4.211 [358]
Acetone 309.34 - 4.926 [358]
Acetone 314.34 - 5.726 [358]
Acetone 319.07 - 6.593 [358]
Acetone 323.51 - 7.519 [358]
Acetonitrile 293.15 - 1.939 [357]
Acetonitrile 298.45 - 2.399 [357]
Acetonitrile 303.45 - 2.915 [357]
Acetonitrile 308.15 - 3.6 [357]
Acetonitrile 312.95 - 4.354 [357]
Acetonitrile 318.65 - 5.478 [357]
Acetonitrile 322.65 - 6.723 [357]
Ethanol 281.15 - 1.795 [358]
Ethanol 287.25 - 2.307 [358]
Ethanol 292.64 - 2.717 [358]
Ethanol 293.15 - 3.534 [357]
Ethanol 297.95 - 3.372 [358]
Ethanol 298.45 - 4.553 [357]
Ethanol 302.05 - 4.108 [358]
Ethanol 303.45 - 5.502 [357]
Ethanol 307.85 - 5.14 [358]
Ethanol 308.15 - 6.57 [357]
Ethanol 311.35 - 6.043 [358]
Ethanol 312.95 - 8.445 [357]
Ethanol 315.24 - 7.36 [358]
Ethanol 318.65 - 10.96 [357]
Ethanol 318.85 - 8.581 [358]
Ethanol 322.65 - 14.69 [357]
Ethanol 323.95 - 10.72 [358]
Ethanol 326.65 - 12.26 [358]
Ethanol 330.66 - 14.76 [358]
Ethanol 335.25 - 18.46 [358]
Ethyl acetate 293.15 - 0.82 [357]
Ethyl acetate 298.45 - 0.9778 [357]
Ethyl acetate 303.45 - 1.164 [357]
Ethyl acetate 308.15 - 1.4 [357]
Ethyl acetate 312.95 - 1.749 [357]
Ethyl acetate 318.65 - 2.216 [357]
Ethyl acetate 322.65 - 2.752 [357]
Isopropanol 277.17 - 0.4222 [358]
Isopropanol 282.82 - 0.6001 [358]
Isopropanol 288.28 - 0.7721 [358]
Isopropanol 293.13 - 0.9688 [358]
Isopropanol 293.15 - 0.86 [357]
Isopropanol 297.57 - 1.218 [358]
Isopropanol 298.45 - 1.108 [357]
Isopropanol 303.45 - 1.628 [357]
Isopropanol 304.04 - 1.754 [358]
Isopropanol 308.15 - 2.03 [357]
Isopropanol 309.36 - 2.403 [358]
Isopropanol 312.95 - 2.837 [357]
Isopropanol 315.13 - 3.37 [358]
Isopropanol 318.65 - 3.929 [357]
Isopropanol 319.53 - 4.33 [358]
Isopropanol 322.65 - 5.185 [357]
Isopropanol 324.04 - 5.539 [358]
Isopropanol 328.37 - 6.938 [358]
Isopropanol 333.64 - 8.989 [358]
Methanol 277.02 - 6.055 [358]
Methanol 282.85 - 7.277 [358]
Methanol 288.09 - 8.67 [358]
Methanol 293.03 - 10.28 [358]
Methanol 298.17 - 12.33 [358]
Methanol 304.24 - 15.39 [358]
Methanol 309.36 - 18.67 [358]
Methanol 314.12 - 22.45 [358]
Methanol 319.06 - 27.31 [358]
Methanol 323.53 - 32.68 [358]
Methanol 328.15 - 39.41 [358]
Methanol 333.73 - 49.44 [358]
Tetrahydrofuran 276.05 - 2.22 [358]
Tetrahydrofuran 281.81 - 2.588 [358]
Tetrahydrofuran 287.31 - 3.088 [358]
Tetrahydrofuran 292.65 - 3.531 [358]
Tetrahydrofuran 298.08 - 4.164 [358]
Tetrahydrofuran 303.12 - 4.845 [358]
Tetrahydrofuran 306.95 - 5.438 [358]
Tetrahydrofuran 311.69 - 6.242 [358]
Tetrahydrofuran 316.74 - 7.243 [358]
Tetrahydrofuran 321.34 - 8.439 [358]
Tetrahydrofuran 326.91 - 10.15 [358]
Tetrahydrofuran 333.87 - 12.85 [358]
Water 293.15 - 0.3211 [357]
Water 298.45 - 0.3993 [357]
Water 303.45 - 0.4842 [357]
Water 308.15 - 0.5889 [357]
Water 312.95 - 0.7487 [357]
Water 318.65 - 0.9658 [357]
Water 322.65 - 1.138 [357]

Molecule 3D descriptors

Descriptor Value
PMI1 1082.2214
PMI2 2946.1218
PMI3 3391.2515
NPR1 0.3191
NPR2 0.8687
RadiusOfGyration 3.5747
InertialShapeFactor 0.0008
Eccentricity 0.9477
Asphericity 0.3271
SpherocityIndex 0.3824
PBF 1.0990