N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-(propan-2-yl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-(propan-2-yl)pyrimidine-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-(propan-2-yl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | F937-0513 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-(propan-2-yl)pyrimidine-5-carboxamide |
| Molecular Weight: | 313.35 |
| Molecular Formula: | C17 H19 N3 O3 |
| Smiles: | CC(C)c1ncc(C(NCc2ccc3c(c2)OCO3)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.6489 |
| logD: | 2.6488 |
| logSw: | -3.0537 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.437 |
| InChI Key: | GCUTXQGOWINNMY-UHFFFAOYSA-N |