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CAS 1133115-68-0

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Methyl 2-amino-4-(2-chlorophenyl)-5-pyrimidinecarboxylate

Description:
Methyl 2-amino-4-(2-chlorophenyl)-5-pyrimidinecarboxylate is a chemical compound characterized by its pyrimidine core, which is a six-membered heterocyclic ring containing two nitrogen atoms. This compound features a methyl ester functional group, contributing to its solubility and reactivity. The presence of an amino group at the 2-position and a 2-chlorophenyl substituent at the 4-position enhances its potential for biological activity, making it of interest in pharmaceutical research. The chlorophenyl group may influence the compound's lipophilicity and interaction with biological targets. Additionally, the pyrimidine structure is known for its role in various biological processes, including nucleic acid metabolism. The compound's molecular structure suggests potential applications in medicinal chemistry, particularly in the development of therapeutic agents. Its CAS number, 1133115-68-0, allows for precise identification and retrieval of information regarding its properties, safety data, and regulatory status. Overall, this compound exemplifies the complexity and diversity of organic molecules with potential applications in drug discovery.
Formula:C12H10ClN3O2
InChI:InChI=1S/C12H10ClN3O2/c1-18-11(17)8-6-15-12(14)16-10(8)7-4-2-3-5-9(7)13/h2-6H,1H3,(H2,14,15,16)
InChI key:InChIKey=XQDWVQDZQSJIBP-UHFFFAOYSA-N
SMILES:C(OC)(=O)C=1C(=NC(N)=NC1)C2=C(Cl)C=CC=C2
Synonyms:
  • Methyl 2-amino-4-(2-chlorophenyl)-5-pyrimidinecarboxylate
  • 5-Pyrimidinecarboxylic acid, 2-amino-4-(2-chlorophenyl)-, methyl ester
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