CAS 512840-35-6

Ethyl 4-(3-chlorophenyl)-1,2,3,4-tetrahydro-1,6-dimethyl-2-oxo-5-pyrimidinecarboxylate

Description:

Ethyl 4-(3-chlorophenyl)-1,2,3,4-tetrahydro-1,6-dimethyl-2-oxo-5-pyrimidinecarboxylate, identified by its CAS number 512840-35-6, is a chemical compound that belongs to the class of pyrimidine derivatives. This substance features a pyrimidine ring, which is a six-membered heterocyclic structure containing nitrogen atoms. The presence of a 3-chlorophenyl group indicates that it has a chlorine substituent on a phenyl ring, contributing to its potential biological activity and lipophilicity. The ethyl ester functional group suggests that it may exhibit properties typical of esters, such as volatility and solubility in organic solvents. The compound's structure includes multiple methyl groups, which can influence its steric and electronic properties, potentially affecting its reactivity and interactions with biological targets. Overall, this compound may be of interest in medicinal chemistry and pharmacology, particularly for its potential applications in drug development or as a lead compound for further synthesis and optimization.

Formula: C₁₅H₁₇ClN₂O₃

InChI: InChI=1S/C15H17ClN2O3/c1-4-21-14(19)12-9(2)18(3)15(20)17-13(12)10-6-5-7-11(16)8-10/h5-8,13H,4H2,1-3H3,(H,17,20)

InChI key: InChIKey=RVHIPMOQTHWTAO-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1C(NC(=O)N(C)C1C)C2=CC(Cl)=CC=C2

Synonyms:

• 5-Pyrimidinecarboxylic acid, 4-(3-chlorophenyl)-1,2,3,4-tetrahydro-1,6-dimethyl-2-oxo-, ethyl ester
• Ethyl 4-(3-chlorophenyl)-1,2,3,4-tetrahydro-1,6-dimethyl-2-oxo-5-pyrimidinecarboxylate