2-(azepan-1-yl)-5-nitro-N~4~-phenylpyrimidine-4,6-diamine
Chemical Structure Depiction of
2-(azepan-1-yl)-5-nitro-N~4~-phenylpyrimidine-4,6-diamine
2-(azepan-1-yl)-5-nitro-N~4~-phenylpyrimidine-4,6-diamine
Compound characteristics
| Compound ID: | G786-0198 |
| Compound Name: | 2-(azepan-1-yl)-5-nitro-N~4~-phenylpyrimidine-4,6-diamine |
| Molecular Weight: | 328.37 |
| Molecular Formula: | C16 H20 N6 O2 |
| Smiles: | C1CCCN(CC1)c1nc(c(c(Nc2ccccc2)n1)[N+]([O-])=O)N |
| Stereo: | ACHIRAL |
| logP: | 3.9129 |
| logD: | 3.9128 |
| logSw: | -4.1552 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.549 |
| InChI Key: | OKJIIBDVCBDYDA-UHFFFAOYSA-N |