N~2~-(butan-2-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine
Chemical Structure Depiction of
N~2~-(butan-2-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine
N~2~-(butan-2-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine
Compound characteristics
| Compound ID: | G786-0078 |
| Compound Name: | N~2~-(butan-2-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine |
| Molecular Weight: | 323.4 |
| Molecular Formula: | C14 H25 N7 O2 |
| Smiles: | CCC(C)Nc1nc(c(c(n1)N1CCN(CC)CC1)[N+]([O-])=O)N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2507 |
| logD: | 1.6825 |
| logSw: | -2.4299 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.29 |
| InChI Key: | PEKLNJBSTQUIBP-JTQLQIEISA-N |