CAS 76360-88-8

4-[(1-Methylethyl)amino]-2-(methylthio)-5-pyrimidinecarboxylic acid

Description:

4-[(1-Methylethyl)amino]-2-(methylthio)-5-pyrimidinecarboxylic acid, with the CAS number 76360-88-8, is a chemical compound that belongs to the class of pyrimidine derivatives. This substance features a pyrimidine ring substituted with an isopropylamino group and a methylthio group, contributing to its unique chemical properties. It is typically characterized by its solid state at room temperature and exhibits moderate solubility in polar solvents, which is common for many pyrimidine derivatives. The presence of the carboxylic acid functional group suggests that it can participate in acid-base reactions, potentially acting as a weak acid. This compound may have applications in pharmaceuticals or agrochemicals, given the biological relevance of pyrimidine derivatives. Its molecular structure allows for various interactions, including hydrogen bonding and hydrophobic interactions, which can influence its biological activity and reactivity. As with many chemical substances, safety data should be consulted to understand its handling and potential hazards.

Formula: C₉H₁₃N₃O₂S

InChI: InChI=1S/C9H13N3O2S/c1-5(2)11-7-6(8(13)14)4-10-9(12-7)15-3/h4-5H,1-3H3,(H,13,14)(H,10,11,12)

InChI key: InChIKey=IPIYOTSHMSSGLY-UHFFFAOYSA-N

SMILES: N(C(C)C)C=1C(C(O)=O)=CN=C(SC)N1

Synonyms:

• 2-(Methylsulfanyl)-4-[(propan-2-yl)amino]pyrimidine-5-carboxylic acid
• 5-Pyrimidinecarboxylic acid, 4-[(1-methylethyl)amino]-2-(methylthio)-
• 4-[(1-Methylethyl)amino]-2-(methylthio)-5-pyrimidinecarboxylic acid