2-(azepan-1-yl)-N~4~-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
Chemical Structure Depiction of
2-(azepan-1-yl)-N~4~-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
2-(azepan-1-yl)-N~4~-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
Compound characteristics
| Compound ID: | G786-0179 |
| Compound Name: | 2-(azepan-1-yl)-N~4~-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine |
| Molecular Weight: | 388.42 |
| Molecular Formula: | C18 H24 N6 O4 |
| Smiles: | COc1ccc(c(c1)Nc1c(c(N)nc(n1)N1CCCCCC1)[N+]([O-])=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.1049 |
| logD: | 4.1046 |
| logSw: | -4.4924 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.025 |
| InChI Key: | SDVFEKAKYBSEJX-UHFFFAOYSA-N |