3-methyl-1-{4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl}butan-1-one
Chemical Structure Depiction of
3-methyl-1-{4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl}butan-1-one
3-methyl-1-{4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | D430-0223 |
| Compound Name: | 3-methyl-1-{4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl}butan-1-one |
| Molecular Weight: | 367.49 |
| Molecular Formula: | C21 H29 N5 O |
| Smiles: | CC(C)CC(N1CCN(CC1)c1cc(Nc2ccc(C)cc2)nc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3887 |
| logD: | 3.8726 |
| logSw: | -4.1989 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.018 |
| InChI Key: | CDVABRQOVBLJBX-UHFFFAOYSA-N |