CAS 127958-07-0

2-Methyl-4-propyl-5-pyrimidinecarboxylic acid

Description:

2-Methyl-4-propyl-5-pyrimidinecarboxylic acid is an organic compound characterized by its pyrimidine ring structure, which is a six-membered heterocyclic aromatic ring containing two nitrogen atoms at positions 1 and 3. This compound features a carboxylic acid functional group (-COOH) at the 5-position of the pyrimidine ring, contributing to its acidity and reactivity. The presence of a methyl group at the 2-position and a propyl group at the 4-position introduces hydrophobic characteristics, influencing its solubility and interaction with biological systems. Typically, compounds like this may exhibit biological activity, potentially serving as intermediates in pharmaceutical synthesis or as agrochemicals. The molecular structure suggests that it may participate in various chemical reactions, including esterification and amidation, due to the reactive carboxylic acid group. Its specific properties, such as melting point, boiling point, and solubility, would depend on the molecular interactions and the environment in which it is studied.

Formula: C₉H₁₂N₂O₂

InChI: InChI=1S/C9H12N2O2/c1-3-4-8-7(9(12)13)5-10-6(2)11-8/h5H,3-4H2,1-2H3,(H,12,13)

InChI key: InChIKey=OYXCXIKDONDHPW-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1C(CCC)=NC(C)=NC1

Synonyms:

• 2-Methyl-4-propyl-5-pyrimidinecarboxylic acid
• 5-Pyrimidinecarboxylic acid, 2-methyl-4-propyl-