2-(azepan-1-yl)-N~4~-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine
Chemical Structure Depiction of
2-(azepan-1-yl)-N~4~-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine
2-(azepan-1-yl)-N~4~-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine
Compound characteristics
| Compound ID: | G786-0218 |
| Compound Name: | 2-(azepan-1-yl)-N~4~-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine |
| Molecular Weight: | 346.36 |
| Molecular Formula: | C16 H19 F N6 O2 |
| Smiles: | C1CCCN(CC1)c1nc(c(c(Nc2ccc(cc2)F)n1)[N+]([O-])=O)N |
| Stereo: | ACHIRAL |
| logP: | 4.1337 |
| logD: | 4.1336 |
| logSw: | -4.4003 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.549 |
| InChI Key: | ZVBLPMJDIRDWKA-UHFFFAOYSA-N |