ethyl 4-(2,6-dimethylanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 4-(2,6-dimethylanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1)
ethyl 4-(2,6-dimethylanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D278-0242 |
| Compound Name: | ethyl 4-(2,6-dimethylanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 353.87 |
| Molecular Formula: | C16 H19 N3 O2 S |
| Salt: | HCl |
| Smiles: | CCOC(c1cnc(nc1Nc1c(C)cccc1C)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7738 |
| logD: | 3.7738 |
| logSw: | -3.7574 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.964 |
| InChI Key: | KEUFLECIPAWRAM-UHFFFAOYSA-N |