CAS 1185294-96-5

1(2H)-Pyrimidineacetic acid, 4,5,6-trimethyl-2-oxo-, hydrochloride (1:1)

Description:

1(2H)-Pyrimidineacetic acid, 4,5,6-trimethyl-2-oxo-, hydrochloride (1:1) is a chemical compound characterized by its pyrimidine ring structure, which is a six-membered aromatic ring containing two nitrogen atoms at positions 1 and 3. This compound features a carboxylic acid functional group, contributing to its acidic properties, and a ketone group, which enhances its reactivity. The presence of three methyl groups at positions 4, 5, and 6 of the pyrimidine ring indicates that it is a substituted derivative, potentially influencing its solubility and biological activity. As a hydrochloride salt, it is typically more soluble in water compared to its free base form, making it easier to handle in various applications. The compound may exhibit pharmacological properties, which could be of interest in medicinal chemistry. Its CAS number, 1185294-96-5, allows for precise identification in chemical databases, facilitating research and development in related fields. Overall, this compound's unique structural features suggest potential utility in various chemical and pharmaceutical applications.

Formula: C₉H₁₂N₂O₃·ClH

InChI: InChI=1S/C9H12N2O3.ClH/c1-5-6(2)10-9(14)11(7(5)3)4-8(12)13;/h4H2,1-3H3,(H,12,13);1H

InChI key: InChIKey=PFCMSAIKBHPWJU-UHFFFAOYSA-N

SMILES: C(C(O)=O)N1C(C)=C(C)C(C)=NC1=O.Cl

Synonyms:

• 1(2H)-Pyrimidineacetic acid, 4,5,6-trimethyl-2-oxo-, hydrochloride (1:1)