6-(azepan-1-yl)-N~2~-(2-methoxyethyl)-5-nitropyrimidine-2,4-diamine
Chemical Structure Depiction of
6-(azepan-1-yl)-N~2~-(2-methoxyethyl)-5-nitropyrimidine-2,4-diamine
6-(azepan-1-yl)-N~2~-(2-methoxyethyl)-5-nitropyrimidine-2,4-diamine
Compound characteristics
| Compound ID: | G786-0051 |
| Compound Name: | 6-(azepan-1-yl)-N~2~-(2-methoxyethyl)-5-nitropyrimidine-2,4-diamine |
| Molecular Weight: | 310.35 |
| Molecular Formula: | C13 H22 N6 O3 |
| Smiles: | COCCNc1nc(c(c(n1)N1CCCCCC1)[N+]([O-])=O)N |
| Stereo: | ACHIRAL |
| logP: | 2.5962 |
| logD: | 2.5961 |
| logSw: | -2.8009 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.827 |
| InChI Key: | TUHLCFBWCFPADA-UHFFFAOYSA-N |