6-(azepan-1-yl)-N~2~-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4-diamine
Chemical Structure Depiction of
6-(azepan-1-yl)-N~2~-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4-diamine
6-(azepan-1-yl)-N~2~-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4-diamine
Compound characteristics
| Compound ID: | G786-0052 |
| Compound Name: | 6-(azepan-1-yl)-N~2~-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4-diamine |
| Molecular Weight: | 337.42 |
| Molecular Formula: | C15 H27 N7 O2 |
| Smiles: | CN(C)CCCNc1nc(c(c(n1)N1CCCCCC1)[N+]([O-])=O)N |
| Stereo: | ACHIRAL |
| logP: | 2.4454 |
| logD: | 0.3609 |
| logSw: | -2.4498 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.35 |
| InChI Key: | AKXMXZBIFOJBPI-UHFFFAOYSA-N |