2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | G415-4606 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 452.47 |
| Molecular Formula: | C23 H24 N4 O6 |
| Smiles: | Cc1c(cnc(NCc2ccc3c(c2)OCO3)n1)C(Nc1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3899 |
| logD: | 2.1405 |
| logSw: | -3.0719 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.462 |
| InChI Key: | KXQBVEBXIPJGHN-UHFFFAOYSA-N |