N-(2-ethyl-6-methylphenyl)-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(2-ethyl-6-methylphenyl)-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
N-(2-ethyl-6-methylphenyl)-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0100 |
| Compound Name: | N-(2-ethyl-6-methylphenyl)-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 301.41 |
| Molecular Formula: | C16 H19 N3 O S |
| Smiles: | CCc1cccc(C)c1NC(c1cnc(nc1C)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1565 |
| logD: | 3.1556 |
| logSw: | -3.2446 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.326 |
| InChI Key: | PIPRBYXDOBFPFE-UHFFFAOYSA-N |