N-(2H-1,3-benzodioxol-5-yl)-4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazine-1-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazine-1-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | D574-0246 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazine-1-carboxamide |
| Molecular Weight: | 446.51 |
| Molecular Formula: | C24 H26 N6 O3 |
| Smiles: | Cc1ccc(cc1)Nc1nc(C)cc(n1)N1CCN(CC1)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8519 |
| logD: | 4.7917 |
| logSw: | -4.6283 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.971 |
| InChI Key: | XSOHLLSQEYPNAQ-UHFFFAOYSA-N |