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CAS 858956-28-2

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6-Amino-2-(4-chlorophenyl)-4-pyrimidinecarboxylic acid

Description:
6-Amino-2-(4-chlorophenyl)-4-pyrimidinecarboxylic acid is a chemical compound characterized by its pyrimidine core, which is a six-membered aromatic ring containing two nitrogen atoms at positions 1 and 3. This compound features an amino group at the 6-position and a carboxylic acid group at the 4-position, contributing to its acidic properties. The presence of a 4-chlorophenyl group at the 2-position enhances its lipophilicity and may influence its biological activity. The molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways. The compound's solubility, stability, and reactivity can vary based on environmental conditions and the presence of other functional groups. Additionally, its CAS number, 858956-28-2, allows for easy identification in chemical databases and literature. Overall, this compound's unique structural features make it a subject of interest for further research in various chemical and biological contexts.
Formula:C11H8ClN3O2
InChI:InChI=1S/C11H8ClN3O2/c12-7-3-1-6(2-4-7)10-14-8(11(16)17)5-9(13)15-10/h1-5H,(H,16,17)(H2,13,14,15)
InChI key:InChIKey=DZRKJIOFNBYMMY-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=NC(=NC(N)=C1)C2=CC=C(Cl)C=C2
Synonyms:
  • 4-Pyrimidinecarboxylic acid, 6-amino-2-(4-chlorophenyl)-
  • 6-Amino-2-(4-chlorophenyl)-4-pyrimidinecarboxylic acid
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