N~4~-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
Chemical Structure Depiction of
N~4~-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
N~4~-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
Compound characteristics
| Compound ID: | G786-0022 |
| Compound Name: | N~4~-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine |
| Molecular Weight: | 343.39 |
| Molecular Formula: | C16 H21 N7 O2 |
| Smiles: | Cc1ccc(cc1)Nc1c(c(N)nc(n1)N1CCN(C)CC1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8502 |
| logD: | 2.2783 |
| logSw: | -3.3988 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.694 |
| InChI Key: | ALGMVMKSUOCVAC-UHFFFAOYSA-N |