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CAS 666260-76-0

:

5-Pyrimidinecarboxylic acid, 2-[(2,4-dichlorophenyl)amino]-4-(trifluoromethyl)-, methyl ester

Description:
5-Pyrimidinecarboxylic acid, 2-[(2,4-dichlorophenyl)amino]-4-(trifluoromethyl)-, methyl ester, identified by CAS number 666260-76-0, is a chemical compound characterized by its pyrimidine core structure, which is a six-membered heterocyclic ring containing nitrogen atoms. This compound features a carboxylic acid functional group, which is esterified with a methyl group, indicating it is a methyl ester. The presence of a 2,4-dichlorophenyl group suggests significant lipophilicity and potential biological activity, while the trifluoromethyl group enhances its chemical stability and may influence its pharmacokinetic properties. The compound is likely to exhibit polar characteristics due to the carboxylic acid moiety, while the halogenated aromatic ring contributes to its overall hydrophobicity. Such structural features may render it useful in pharmaceutical applications, particularly in the development of agrochemicals or medicinal compounds. As with many pyrimidine derivatives, it may also exhibit various biological activities, including antimicrobial or anti-inflammatory properties, although specific biological data would require further investigation.
Formula:C13H8Cl2F3N3O2
InChI:InChI=1S/C13H8Cl2F3N3O2/c1-23-11(22)7-5-19-12(21-10(7)13(16,17)18)20-9-3-2-6(14)4-8(9)15/h2-5H,1H3,(H,19,20,21)
InChI key:InChIKey=LIUZPQIQPGEOQW-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C=1C(C(OC)=O)=CN=C(NC2=C(Cl)C=C(Cl)C=C2)N1
Synonyms:
  • 5-Pyrimidinecarboxylic acid, 2-[(2,4-dichlorophenyl)amino]-4-(trifluoromethyl)-, methyl ester
  • Methyl 2-(2,4-dichlorophenylamino)-4-trifluoromethylpyrimidine-5-carboxylate
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