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CAS 5613-33-2

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2,2,2-trifluoroethyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Description:
2,2,2-Trifluoroethyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate, with CAS number 5613-33-2, is a chemical compound that belongs to the class of tetrahydropyrimidines. This compound features a pyrimidine ring, which is a six-membered heterocyclic structure containing nitrogen atoms, and is substituted with various functional groups, including a trifluoroethyl group and a carboxylate ester. The presence of the trifluoroethyl group imparts unique electronic and steric properties, enhancing its potential applications in medicinal chemistry and agrochemicals. The compound is characterized by its relatively high lipophilicity due to the fluorinated moiety, which can influence its biological activity and solubility. Additionally, the presence of the phenyl group contributes to its aromatic character, potentially affecting its reactivity and interactions with biological targets. Overall, this compound's structural features suggest it may exhibit interesting pharmacological properties, warranting further investigation in drug development and synthesis.
Formula:C14H13F3N2O3
InChI:InChI=1/C14H13F3N2O3/c1-8-10(12(20)22-7-14(15,16)17)11(19-13(21)18-8)9-5-3-2-4-6-9/h2-6,11H,7H2,1H3,(H2,18,19,21)
SMILES:CC1=C(C(c2ccccc2)NC(=N1)O)C(=O)OCC(F)(F)F
Synonyms:
  • 5-Pyrimidinecarboxylic Acid, 1,2,3,4-Tetrahydro-6-Methyl-2-Oxo-4-Phenyl-, 2,2,2-Trifluoroethyl Ester
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