≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCSC1=NC=C(C(=N1)N)C(=O)N(C)OC |
|---|---|
| IUPAC Name | 4-amino-2-ethylsulfanyl-N-methoxy-N-methylpyrimidine-5-carboxamide |
| InChIKey | LKSOAMHSVXPCKP-UHFFFAOYSA-N |
| INCHI | 1S/C9H14N4O2S/c1-4-16-9-11-5-6(7(10)12-9)8(14)13(2)15-3/h5H,4H2,1-3H3,(H2,10,11,12) |
| Isomeric SMILES | CCSC1=NC=C(C(=N1)N)C(=O)N(C)OC |
| PubChem CID | 11974832 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Pyrimidinecarboxylic acids and derivatives |
| Direct Parent | Pyrimidinecarboxamides |
| Alternative Parents | Aminopyrimidines and derivatives Alkylarylthioethers Imidolactams Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Sulfenyl compounds Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidinecarboxamide - Aryl thioether - Aminopyrimidine - Alkylarylthioether - Imidolactam - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxylic acid derivative - Thioether - Sulfenyl compound - Azacycle - Organic oxide - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidinecarboxamides. These are compounds containing a pyrimidine ring which bears a carboxamide. |
| External Descriptors | Not available |
| Molecular Weight | 242.300 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 242.084 Da |
| Monoisotopic Mass | 242.084 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 242.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
