ethyl 2-(methylsulfanyl)-4-{[(pyridin-2-yl)methyl]amino}pyrimidine-5-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 2-(methylsulfanyl)-4-{[(pyridin-2-yl)methyl]amino}pyrimidine-5-carboxylate--hydrogen chloride (1/1)
ethyl 2-(methylsulfanyl)-4-{[(pyridin-2-yl)methyl]amino}pyrimidine-5-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D278-0013 |
| Compound Name: | ethyl 2-(methylsulfanyl)-4-{[(pyridin-2-yl)methyl]amino}pyrimidine-5-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 340.83 |
| Molecular Formula: | C14 H16 N4 O2 S |
| Salt: | HCl |
| Smiles: | CCOC(c1cnc(nc1NCc1ccccn1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4135 |
| logD: | 2.4133 |
| logSw: | -2.7118 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.224 |
| InChI Key: | WZBDMGWFMYPBRV-UHFFFAOYSA-N |