CAS 124769-61-5

2-[(4-Chlorophenyl)amino]-1,6-dihydro-6-oxo-5-pyrimidinecarboxylic acid

Description:

2-[(4-Chlorophenyl)amino]-1,6-dihydro-6-oxo-5-pyrimidinecarboxylic acid, with CAS number 124769-61-5, is a chemical compound characterized by its pyrimidine core structure, which features a carboxylic acid functional group and an amine substitution. The presence of the 4-chlorophenyl group indicates that it has a chlorine atom attached to a phenyl ring, contributing to its potential biological activity and lipophilicity. This compound is typically a solid at room temperature and may exhibit moderate solubility in polar solvents due to the carboxylic acid group. Its structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, as compounds with similar frameworks often exhibit antimicrobial or anti-inflammatory properties. The specific arrangement of functional groups can influence its reactivity, stability, and interaction with biological targets. As with many pyrimidine derivatives, it may also participate in hydrogen bonding, which can affect its pharmacokinetic properties. Safety and handling precautions should be observed, as with all chemical substances, particularly in laboratory settings.

Formula: C₁₁H₈ClN₃O₃

InChI: InChI=1S/C11H8ClN3O3/c12-6-1-3-7(4-2-6)14-11-13-5-8(10(17)18)9(16)15-11/h1-5H,(H,17,18)(H2,13,14,15,16)

InChI key: InChIKey=PTVKRWMWPVVQNY-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1C(=O)NC(NC2=CC=C(Cl)C=C2)=NC1

Synonyms:

• 5-Pyrimidinecarboxylic acid, 2-[(4-chlorophenyl)amino]-1,6-dihydro-6-oxo-
• 2-[(4-Chlorophenyl)amino]-1,6-dihydro-6-oxo-5-pyrimidinecarboxylic acid
• 5-Pyrimidinecarboxylic acid, 2-[(4-chlorophenyl)amino]-1,4-dihydro-4-oxo-