2-(4-benzylpiperazin-1-yl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
Chemical Structure Depiction of
2-(4-benzylpiperazin-1-yl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
2-(4-benzylpiperazin-1-yl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
Compound characteristics
| Compound ID: | G786-0127 |
| Compound Name: | 2-(4-benzylpiperazin-1-yl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine |
| Molecular Weight: | 435.48 |
| Molecular Formula: | C22 H25 N7 O3 |
| Smiles: | COc1ccc(cc1)Nc1c(c(N)nc(n1)N1CCN(CC1)Cc1ccccc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9074 |
| logD: | 3.7998 |
| logSw: | -4.2429 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.302 |
| InChI Key: | MFHXMQDAAXIJGR-UHFFFAOYSA-N |