CAS 1065075-64-0: 2-(Methylthio)-4-[[4-(trifluoromethyl)phenyl]amino]-5-pyrimidinecarboxylic acid

Description: 2-(Methylthio)-4-[[4-(trifluoromethyl)phenyl]amino]-5-pyrimidinecarboxylic acid is a chemical compound characterized by its complex structure, which includes a pyrimidine ring substituted with a carboxylic acid group and a methylthio group. The presence of a trifluoromethyl group on the phenyl ring enhances its lipophilicity and may influence its biological activity. This compound is typically classified as an organic heterocyclic compound due to the nitrogen atoms in the pyrimidine ring. It may exhibit properties such as moderate solubility in organic solvents and potential reactivity due to the functional groups present. The methylthio group can impart specific electronic and steric effects, which may be relevant in medicinal chemistry, particularly in the development of pharmaceuticals. The trifluoromethyl group is known for its ability to enhance metabolic stability and bioactivity. Overall, this compound's unique structural features suggest potential applications in drug development and other chemical research areas.

Formula: C₁₃H₁₀F₃N₃O₂S

InChI: InChI=1S/C13H10F3N3O2S/c1-22-12-17-6-9(11(20)21)10(19-12)18-8-4-2-7(3-5-8)13(14,15)16/h2-6H,1H3,(H,20,21)(H,17,18,19)

InChI key: InChIKey=OPYHQOTZSQNMFL-UHFFFAOYSA-N

SMILES: O=C(O)C1=CN=C(N=C1NC2=CC=C(C=C2)C(F)(F)F)SC

Synonyms:

• 5-Pyrimidinecarboxylic acid, 2-(methylthio)-4-[[4-(trifluoromethyl)phenyl]amino]-
• 2-(Methylthio)-4-[[4-(trifluoromethyl)phenyl]amino]-5-pyrimidinecarboxylic acid

2-(METHYLTHIO)-4-(4-(TRIFLUOROMETHYL)PHENYLAMINO)PYRIMIDINE-5-CARBOXYLIC ACID

CAS: 1065075-64-0

• Purity: 95.0%
• Molecular weight: 329.29998779296875

2-(Methylthio)-4-(4-(trifluoromethyl)phenylamino)pyrimidine-5-carboxylic acid

CAS: 1065075-64-0

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• Formula: C₁₃H₁₀F₃N₃O₂S
• Purity: Min. 95%
• Molecular weight: 329.3 g/mol