CAS 857410-56-1

5-Pyrimidinecarboxylic acid, 4-amino-2-methyl-, ethyl ester, hydrochloride (1:1)

Description:

5-Pyrimidinecarboxylic acid, 4-amino-2-methyl-, ethyl ester, hydrochloride (1:1) is a chemical compound characterized by its pyrimidine ring structure, which is a six-membered aromatic heterocycle containing two nitrogen atoms at positions 1 and 3. This compound features a carboxylic acid functional group, an amino group, and an ethyl ester moiety, contributing to its potential biological activity. The hydrochloride form indicates that the compound is a salt formed with hydrochloric acid, enhancing its solubility in water and stability. Typically, such compounds may exhibit properties relevant to pharmaceuticals, including potential antimicrobial or anti-inflammatory activities. The presence of the amino and carboxylic acid groups suggests that it may participate in hydrogen bonding, influencing its interactions in biological systems. Additionally, the methyl group at the 2-position of the pyrimidine ring can affect the compound's lipophilicity and overall pharmacokinetic profile. As with many pyrimidine derivatives, this compound may serve as a scaffold for further chemical modifications in drug development.

Formula: C₈H₁₁N₃O₂·ClH

InChI: InChI=1S/C8H11N3O2.ClH/c1-3-13-8(12)6-4-10-5(2)11-7(6)9;/h4H,3H2,1-2H3,(H2,9,10,11);1H

InChI key: InChIKey=NXOVTUODCUCFLK-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1C(N)=NC(C)=NC1.Cl

Synonyms:

• 5-Pyrimidinecarboxylic acid, 4-amino-2-methyl-, ethyl ester, hydrochloride
• 5-Pyrimidinecarboxylic acid, 4-amino-2-methyl-, ethyl ester, hydrochloride (1:1)