{4-[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl}(4-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl}(4-nitrophenyl)methanone
{4-[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl}(4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | D430-0093 |
| Compound Name: | {4-[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl}(4-nitrophenyl)methanone |
| Molecular Weight: | 396.45 |
| Molecular Formula: | C20 H24 N6 O3 |
| Smiles: | Cc1nc(cc(n1)N1CCN(CC1)C(c1ccc(cc1)[N+]([O-])=O)=O)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.2964 |
| logD: | 3.2728 |
| logSw: | -3.4427 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.458 |
| InChI Key: | DMKBCKAAUXPEKX-UHFFFAOYSA-N |