4-[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
Chemical Structure Depiction of
4-[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
4-[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | D639-0023 |
| Compound Name: | 4-[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide |
| Molecular Weight: | 412.56 |
| Molecular Formula: | C21 H28 N6 O S |
| Smiles: | Cc1nc(cc(n1)N1CCN(CC1)C(Nc1cccc(c1)SC)=O)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.192 |
| logD: | 4.1684 |
| logSw: | -4.1846 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.897 |
| InChI Key: | HIPDOQMEEOIUFI-UHFFFAOYSA-N |