2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methyl-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methyl-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methyl-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | G415-4594 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-methyl-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C22 H22 N4 O3 |
| Smiles: | Cc1ccc(CNC(c2cnc(NCc3ccc4c(c3)OCO4)nc2C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3964 |
| logD: | 3.3958 |
| logSw: | -3.6206 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.806 |
| InChI Key: | LMHJEPDFVRYHFA-UHFFFAOYSA-N |