2-(4-benzylpiperazin-1-yl)-N~4~-cyclohexyl-5-nitropyrimidine-4,6-diamine
Chemical Structure Depiction of
2-(4-benzylpiperazin-1-yl)-N~4~-cyclohexyl-5-nitropyrimidine-4,6-diamine
2-(4-benzylpiperazin-1-yl)-N~4~-cyclohexyl-5-nitropyrimidine-4,6-diamine
Compound characteristics
| Compound ID: | G786-0089 |
| Compound Name: | 2-(4-benzylpiperazin-1-yl)-N~4~-cyclohexyl-5-nitropyrimidine-4,6-diamine |
| Molecular Weight: | 411.51 |
| Molecular Formula: | C21 H29 N7 O2 |
| Smiles: | C1CCC(CC1)Nc1c(c(N)nc(n1)N1CCN(CC1)Cc1ccccc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9977 |
| logD: | 3.8901 |
| logSw: | -4.2518 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.805 |
| InChI Key: | KFASVHPJRXIIDN-UHFFFAOYSA-N |