CAS 1384429-72-4

5-Pyrimidinecarboxylic acid, 1,2-dihydro-4-methyl-6-(methylthio)-2-oxo-, hydrochloride (1:1)

Description:

5-Pyrimidinecarboxylic acid, 1,2-dihydro-4-methyl-6-(methylthio)-2-oxo-, hydrochloride (1:1), identified by CAS number 1384429-72-4, is a chemical compound that features a pyrimidine ring, which is a six-membered heterocyclic structure containing nitrogen atoms. This compound is characterized by the presence of a carboxylic acid functional group, a methyl group, and a methylthio group, contributing to its unique chemical properties. The hydrochloride form indicates that the compound is a salt formed with hydrochloric acid, enhancing its solubility in water and potentially affecting its biological activity. The presence of the dihydro structure suggests that it may exhibit reduced reactivity compared to fully unsaturated analogs. This compound may be of interest in pharmaceutical research due to its potential biological activities, which could include antimicrobial or anti-inflammatory properties, although specific biological data would need to be referenced for detailed applications. Overall, its structural features suggest it could be a valuable compound in medicinal chemistry and related fields.

Formula: C₇H₈N₂O₃S·ClH

InChI: InChI=1S/C7H8N2O3S.ClH/c1-3-4(6(10)11)5(13-2)9-7(12)8-3;/h1-2H3,(H,10,11)(H,8,9,12);1H

InChI key: InChIKey=WDJLDFNNGJYMJP-UHFFFAOYSA-N

SMILES: S(C)C1=C(C(O)=O)C(C)=NC(=O)N1.Cl

Synonyms:

• 5-Pyrimidinecarboxylic acid, 1,2-dihydro-4-methyl-6-(methylthio)-2-oxo-, hydrochloride (1:1)

6-Methyl-4-(methylsulfanyl)-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid hydrochloride

CAS: 1384429-72-4

Versatile small molecule scaffold

Formula: C₇H₉ClN₂O₃S

Purity: Min. 95%

Molecular weight: 236.68 g/mol

Ref: 3D-JFC42972