{4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl}(3-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl}(3-nitrophenyl)methanone
{4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl}(3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | D430-0252 |
| Compound Name: | {4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl}(3-nitrophenyl)methanone |
| Molecular Weight: | 432.48 |
| Molecular Formula: | C23 H24 N6 O3 |
| Smiles: | Cc1ccc(cc1)Nc1cc(nc(C)n1)N1CCN(CC1)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2894 |
| logD: | 3.7733 |
| logSw: | -4.3022 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.656 |
| InChI Key: | IDUBQMVXNRYPGE-UHFFFAOYSA-N |