CAS 1135283-41-8

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

Description:

Ethyl 1,2,3,4-tetrahydro-1,6-dimethyl-4-(3-methylphenyl)-2-oxo-5-pyrimidinecarboxylate is a complex organic compound characterized by its pyrimidine ring structure, which is a six-membered heterocyclic compound containing nitrogen atoms. This substance features multiple functional groups, including an ester group due to the ethyl moiety, and a ketone group indicated by the "2-oxo" designation. The presence of the dimethyl and 3-methylphenyl substituents contributes to its unique chemical properties, potentially influencing its reactivity and solubility. The tetrahydro configuration suggests that the compound has a saturated cyclic structure, which may affect its biological activity and stability. As a pyrimidine derivative, it may exhibit pharmacological properties, making it of interest in medicinal chemistry. The compound's specific interactions, such as binding affinity to biological targets, would depend on its three-dimensional conformation and the nature of its substituents. Overall, this compound represents a class of molecules that could have applications in drug development or other chemical syntheses.

Formula: C₁₆H₂₀N₂O₃

InChI: InChI=1S/C16H20N2O3/c1-5-21-15(19)13-11(3)18(4)16(20)17-14(13)12-8-6-7-10(2)9-12/h6-9,14H,5H2,1-4H3,(H,17,20)

InChI key: InChIKey=CWCBSDKXXPBVRC-UHFFFAOYSA-N

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

Synonyms:

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