6-(azepan-1-yl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4-diamine
Chemical Structure Depiction of
6-(azepan-1-yl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4-diamine
6-(azepan-1-yl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4-diamine
Compound characteristics
| Compound ID: | G786-0053 |
| Compound Name: | 6-(azepan-1-yl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4-diamine |
| Molecular Weight: | 356.43 |
| Molecular Formula: | C18 H24 N6 O2 |
| Smiles: | C1CCCN(CC1)c1c(c(N)nc(NCCc2ccccc2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0369 |
| logD: | 4.0369 |
| logSw: | -4.3094 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.213 |
| InChI Key: | AWHTYECGLYOZFT-UHFFFAOYSA-N |