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CAS 1133115-54-4

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

Description:
Methyl 2-amino-4-(4-fluorophenyl)-5-pyrimidinecarboxylate is a chemical compound characterized by its pyrimidine core, which is a six-membered heterocyclic ring containing 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 4-fluorophenyl substituent at the 4-position enhances its potential for biological activity, making it of interest in medicinal chemistry. The fluorine atom can influence the compound's electronic properties and lipophilicity, potentially affecting its pharmacokinetics and interactions with biological targets. Methyl 2-amino-4-(4-fluorophenyl)-5-pyrimidinecarboxylate may exhibit various properties such as moderate to high polarity, depending on the functional groups present, and it may participate in hydrogen bonding due to the amino group. Its structural features suggest potential applications in drug development, particularly in the design of compounds targeting specific biological pathways. As with many organic compounds, safety and handling precautions should be observed due to potential toxicity or reactivity.
Formula:C12H10FN3O2
InChI:InChI=1S/C12H10FN3O2/c1-18-11(17)9-6-15-12(14)16-10(9)7-2-4-8(13)5-3-7/h2-6H,1H3,(H2,14,15,16)
InChI key:InChIKey=OLAPAXBLTBUSJJ-UHFFFAOYSA-N
SMILES:C(OC)(=O)C=1C(=NC(N)=NC1)C2=CC=C(F)C=C2
Synonyms:
  • 5-Pyrimidinecarboxylic acid, 2-amino-4-(4-fluorophenyl)-, methyl ester
  • Methyl 2-amino-4-(4-fluorophenyl)-5-pyrimidinecarboxylate
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