N~4~-(3,4-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
Chemical Structure Depiction of
N~4~-(3,4-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
N~4~-(3,4-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
Compound characteristics
| Compound ID: | G786-0113 |
| Compound Name: | N~4~-(3,4-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine |
| Molecular Weight: | 371.44 |
| Molecular Formula: | C18 H25 N7 O2 |
| Smiles: | CCN1CCN(CC1)c1nc(c(c(Nc2ccc(C)c(C)c2)n1)[N+]([O-])=O)N |
| Stereo: | ACHIRAL |
| logP: | 3.759 |
| logD: | 3.0694 |
| logSw: | -4.0963 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.754 |
| InChI Key: | AWMZXKYPBZZDKM-UHFFFAOYSA-N |