5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester
ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate
Also Known As: Ethyl 4-amino-2-(methylthio)pyrimidine-5-carboxylate|Ethyl 4-amino-2-(methylthio)pyrimidin-5-carboxylate|alpha,beta-Trehalose|ethyl 4-amino-2-(methylsulfanyl)pyrimidine-5-carboxylate|ChemDiv3_014680|4-Amino-2-(methylthio)-|KS-00000NXB|4-Amino-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester|CE-777|ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate|QC-748|AN-5949|CS-W008025|GS-5700
| Molecular Formula | C8H11N3O2S |
|---|---|
| Molecular Weight | 213.0572 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.0572 |
| Monoisotopic Mass | 213.0572 |
| Heavy Atoms | 14 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 776-53-4 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1N)SC |
| InChIKey | QINRQIZOBCQKAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester (CAS 776-53-4), with molecular formula C8H11N3O2S and molecular weight 213.0572 g/mol. IUPAC: ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate.