Ethyl 4-(methylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
ethyl 4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxylate
Also Known As: ETHYL 4-(METHYLAMINO)-2-(METHYLSULFANYL)-5-PYRIMIDINECARBOXYLATE|ethyl 4-(methylamino)-2-(methylthio)pyrimidine-5-carboxylate|KS-00000BSP|4-(Methylamino)-2-(methylthio)pyrimidine-5-carboxylic Acid Ethyl Ester|1887AC|4-Methylamino-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester|7N-512S|CS-W000293|ethyl 4-(methylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate|ethyl 4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxylate|BAS 00317798|4CH-002086|Ethyl 4-(methylamino)-2-(methylthio)-pyrimidine-5-carboxylate|Z-3681
| Molecular Formula | C9H13N3O2S |
|---|---|
| Molecular Weight | 227.07285 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 89.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.07285 |
| Monoisotopic Mass | 227.07285 |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 76360-82-2 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1NC)SC |
| InChIKey | VDDZMXQAZJMGPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-(methylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate (CAS 76360-82-2), with molecular formula C9H13N3O2S and molecular weight 227.07285 g/mol. IUPAC: ethyl 4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxylate.