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CAS 1033194-60-3

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4-[(4-Methylphenyl)amino]-2-(methylthio)-5-pyrimidinecarboxylic acid

Description:
4-[(4-Methylphenyl)amino]-2-(methylthio)-5-pyrimidinecarboxylic acid, with the CAS number 1033194-60-3, is a chemical compound characterized by its pyrimidine core, which is a six-membered heterocyclic ring containing two nitrogen atoms. This compound features a carboxylic acid functional group, which contributes to its acidity and potential reactivity. The presence of a methylthio group indicates that a sulfur atom is bonded to a methyl group, which can influence the compound's electronic properties and solubility. Additionally, the para-substituted aniline moiety (4-methylphenylamino) suggests that the compound may exhibit specific interactions with biological targets, making it of interest in medicinal chemistry. Its structural features may also impart unique physical properties, such as melting point and solubility in various solvents. Overall, this compound's characteristics make it a subject of interest for further research, particularly in the fields of pharmaceuticals and agrochemicals.
Formula:C13H13N3O2S
InChI:InChI=1S/C13H13N3O2S/c1-8-3-5-9(6-4-8)15-11-10(12(17)18)7-14-13(16-11)19-2/h3-7H,1-2H3,(H,17,18)(H,14,15,16)
InChI key:InChIKey=BLPDCHRUEBNPNH-UHFFFAOYSA-N
SMILES:N(C=1C(C(O)=O)=CN=C(SC)N1)C2=CC=C(C)C=C2
Synonyms:
  • 5-Pyrimidinecarboxylic acid, 4-[(4-methylphenyl)amino]-2-(methylthio)-
  • 4-[(4-Methylphenyl)amino]-2-(methylthio)-5-pyrimidinecarboxylic acid
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