ethyl 4-(3-methylanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 4-(3-methylanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1)
ethyl 4-(3-methylanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D278-0218 |
| Compound Name: | ethyl 4-(3-methylanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 339.84 |
| Molecular Formula: | C15 H17 N3 O2 S |
| Salt: | HCl |
| Smiles: | CCOC(c1cnc(nc1Nc1cccc(C)c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0081 |
| logD: | 4.0081 |
| logSw: | -4.0234 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.359 |
| InChI Key: | RNPGWYUPCBAKHW-UHFFFAOYSA-N |