N~2~-benzyl-N~4~-(2-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
Chemical Structure Depiction of
N~2~-benzyl-N~4~-(2-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
N~2~-benzyl-N~4~-(2-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
Compound characteristics
| Compound ID: | G786-0028 |
| Compound Name: | N~2~-benzyl-N~4~-(2-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine |
| Molecular Weight: | 354.34 |
| Molecular Formula: | C17 H15 F N6 O2 |
| Smiles: | C(c1ccccc1)Nc1nc(c(c(Nc2ccccc2F)n1)[N+]([O-])=O)N |
| Stereo: | ACHIRAL |
| logP: | 3.6831 |
| logD: | 3.6825 |
| logSw: | -4.2434 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 92.509 |
| InChI Key: | QMODTPWYVUXJAT-UHFFFAOYSA-N |