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CAS 71861-76-2

:

1-Acetyl-5-fluoro-3-(2-methylbenzoyl)-2,4(1H,3H)-pyrimidinedione

Description:
1-Acetyl-5-fluoro-3-(2-methylbenzoyl)-2,4(1H,3H)-pyrimidinedione, with the CAS number 71861-76-2, is a synthetic organic compound that belongs to the class of pyrimidinediones. This compound features a pyrimidine ring substituted with an acetyl group at the 1-position, a fluoro group at the 5-position, and a 2-methylbenzoyl group at the 3-position. Its molecular structure contributes to its potential biological activity, making it of interest in medicinal chemistry. The presence of the fluorine atom can enhance lipophilicity and influence the compound's interaction with biological targets. Additionally, the acetyl and benzoyl substituents may impart specific reactivity and solubility characteristics. This compound is typically characterized by its melting point, solubility in various solvents, and spectral properties such as NMR and IR, which help in confirming its structure. Its applications may extend to pharmaceutical research, particularly in the development of novel therapeutic agents. However, detailed studies on its pharmacological properties and toxicity are essential for understanding its potential uses.
Formula:C14H11FN2O4
InChI:InChI=1S/C14H11FN2O4/c1-8-5-3-4-6-10(8)12(19)17-13(20)11(15)7-16(9(2)18)14(17)21/h3-7H,1-2H3
InChI key:InChIKey=DRXHAKVGNKHFMB-UHFFFAOYSA-N
SMILES:C(=O)(N1C(=O)N(C(C)=O)C=C(F)C1=O)C2=C(C)C=CC=C2
Synonyms:
  • 1-Acetyl-3-o-toluyl-5-fluorouracil
  • 1-Acetyl-5-fluoro-3-(2-methylbenzoyl)-2,4(1H,3H)-pyrimidinedione
  • 1-Acetyl-5-fluoro-3-(2-methylbenzoyl)pyrimidine-2,4(1H,3H)-dione
  • 2,4(1H,3H)-Pyrimidinedione, 1-acetyl-5-fluoro-3-(2-methylbenzoyl)-
  • A-Ot
  • Atofluding
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