4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
Chemical Structure Depiction of
4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | D639-0038 |
| Compound Name: | 4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide |
| Molecular Weight: | 448.59 |
| Molecular Formula: | C24 H28 N6 O S |
| Smiles: | Cc1ccc(cc1)Nc1cc(nc(C)n1)N1CCN(CC1)C(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2489 |
| logD: | 4.7328 |
| logSw: | -4.9981 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.095 |
| InChI Key: | GAGKFEYGGZZJFY-UHFFFAOYSA-N |