CAS 764642-23-1

3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoic acid

Description:

3-(4,6-Dimethyl-2-oxopyrimidin-1(2H)-yl)propanoic acid, with the CAS number 764642-23-1, is a chemical compound that features a pyrimidine ring substituted with two methyl groups and a propanoic acid moiety. This structure suggests that it may exhibit both acidic and basic properties due to the presence of the carboxylic acid group and the nitrogen atoms in the pyrimidine ring. The compound is likely to be soluble in polar solvents, given the presence of the carboxylic acid functional group, which can engage in hydrogen bonding. Its molecular structure indicates potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, as pyrimidine derivatives are often associated with biological activity. Additionally, the presence of the dimethyl substituents may influence its lipophilicity and bioavailability. Overall, this compound's unique structural features may contribute to its reactivity and interactions in various chemical and biological contexts.

Formula: C₉H₁₂N₂O₃

InChI: InChI=1/C9H12N2O3/c1-6-5-7(2)11(9(14)10-6)4-3-8(12)13/h5H,3-4H2,1-2H3,(H,12,13)

SMILES: Cc1cc(C)n(CCC(=O)O)c(=O)n1

Synonyms:

• 1(2H)-pyrimidinepropanoic acid, 4,6-dimethyl-2-oxo-