6-(azepan-1-yl)-N~2~,N~2~-diethyl-5-nitropyrimidine-2,4-diamine
Chemical Structure Depiction of
6-(azepan-1-yl)-N~2~,N~2~-diethyl-5-nitropyrimidine-2,4-diamine
6-(azepan-1-yl)-N~2~,N~2~-diethyl-5-nitropyrimidine-2,4-diamine
Compound characteristics
| Compound ID: | G786-0058 |
| Compound Name: | 6-(azepan-1-yl)-N~2~,N~2~-diethyl-5-nitropyrimidine-2,4-diamine |
| Molecular Weight: | 308.38 |
| Molecular Formula: | C14 H24 N6 O2 |
| Smiles: | CCN(CC)c1nc(c(c(n1)N1CCCCCC1)[N+]([O-])=O)N |
| Stereo: | ACHIRAL |
| logP: | 3.6444 |
| logD: | 3.6443 |
| logSw: | -3.9195 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.666 |
| InChI Key: | HFLBAKKANKDXFQ-UHFFFAOYSA-N |