2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(3,5-dimethoxyphenyl)-4-methylpyrimidine-5-carboxamide
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(3,5-dimethoxyphenyl)-4-methylpyrimidine-5-carboxamide
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(3,5-dimethoxyphenyl)-4-methylpyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | G415-4576 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(3,5-dimethoxyphenyl)-4-methylpyrimidine-5-carboxamide |
| Molecular Weight: | 422.44 |
| Molecular Formula: | C22 H22 N4 O5 |
| Smiles: | Cc1c(cnc(NCc2ccc3c(c2)OCO3)n1)C(Nc1cc(cc(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1484 |
| logD: | 3.0124 |
| logSw: | -3.3186 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.571 |
| InChI Key: | QOTMNHGDQMGRPJ-UHFFFAOYSA-N |