CAS 1065075-52-6

4-[(Cyclohexylmethyl)amino]-2-(methylthio)-5-pyrimidinecarboxylic acid

Description:

4-[(Cyclohexylmethyl)amino]-2-(methylthio)-5-pyrimidinecarboxylic acid is a chemical compound characterized by its pyrimidine core, which is a six-membered ring containing nitrogen atoms. The presence of a cyclohexylmethyl group suggests that the compound has a bulky, hydrophobic moiety, which may influence its solubility and biological activity. The methylthio group introduces a sulfur atom into the structure, potentially affecting the compound's reactivity and interaction with biological targets. As a carboxylic acid, it possesses acidic properties, allowing it to participate in various chemical reactions, including esterification and salt formation. This compound may exhibit pharmacological properties, making it of interest in medicinal chemistry, particularly in the development of therapeutic agents. Its specific interactions, stability, and behavior in biological systems would depend on its molecular structure and the functional groups present. Overall, this compound represents a unique combination of features that could be explored for various applications in research and industry.

Formula: C₁₃H₁₉N₃O₂S

InChI: InChI=1S/C13H19N3O2S/c1-19-13-15-8-10(12(17)18)11(16-13)14-7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,17,18)(H,14,15,16)

InChI key: InChIKey=BQFVQPWTFLTXKO-UHFFFAOYSA-N

SMILES: N(CC1CCCCC1)C=2C(C(O)=O)=CN=C(SC)N2

Synonyms:

• 4-[(Cyclohexylmethyl)amino]-2-(methylthio)-5-pyrimidinecarboxylic acid
• 5-Pyrimidinecarboxylic acid, 4-[(cyclohexylmethyl)amino]-2-(methylthio)-

4-(CYCLOHEXYLMETHYLAMINO)-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID

CAS: 1065075-52-6

Formula: C₁₃H₁₉N₃O₂S

Purity: 95.0%

Molecular weight: 281.37

Ref: 10-F306478