N~4~-(3-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
Chemical Structure Depiction of
N~4~-(3-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
N~4~-(3-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
Compound characteristics
| Compound ID: | G786-0208 |
| Compound Name: | N~4~-(3-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine |
| Molecular Weight: | 377.83 |
| Molecular Formula: | C16 H20 Cl N7 O2 |
| Smiles: | CCN1CCN(CC1)c1nc(c(c(Nc2cccc(c2)[Cl])n1)[N+]([O-])=O)N |
| Stereo: | ACHIRAL |
| logP: | 3.5251 |
| logD: | 2.8356 |
| logSw: | -3.7636 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.754 |
| InChI Key: | OLBQWOLTPUHIMG-UHFFFAOYSA-N |