2-ethyl-1-{4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl}butan-1-one
Chemical Structure Depiction of
2-ethyl-1-{4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl}butan-1-one
2-ethyl-1-{4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | G868-0294 |
| Compound Name: | 2-ethyl-1-{4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl}butan-1-one |
| Molecular Weight: | 397.52 |
| Molecular Formula: | C22 H31 N5 O2 |
| Smiles: | CCC(CC)C(N1CCN(CC1)c1nc(C)cc(Nc2ccc(cc2)OC)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6467 |
| logD: | 4.0713 |
| logSw: | -4.3735 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.746 |
| InChI Key: | ITJLAYKUTMXUNP-UHFFFAOYSA-N |