5-Fluoro-2,4-Dioxo-N-(2-Phenylethyl)-3,4-Dihydro-1(2H)-Pyrimidinecarboxamide

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Properties Simple | Detailed

Formula C13H12FN3O3
IUPAC Name 5-fluoro-2,4-dioxo-n-(2-phenylethyl)pyrimidine-1-carboxamide
Molecular Mass 277.251 g·mol−1
Heat of Formation -579.8 ± 16.7 kJ·mol−1
Dipole Moment 4.26 ± 1.08 D
Volume 308.76 Å 3
Surface Area 279.14 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • 1-phenethylcarbamoyl-5-fluorouracil
  • 5-fluoro-2,4-diketo-n-(2-phenylethyl)pyrimidine-1-carboxamide
  • 5-fluoro-2,4-dioxo-n-(2-phenylethyl)-1-pyrimidinecarboxamide
  • 5-fluoro-2,4-dioxo-n-(2-phenylethyl)pyrimidine-1-carboxamide
  • 5-fluoro-3,4-dihydro-2,4-dioxo-n-(2-phenethyl)-1(2h)-pyrimidinecarboxamide
CAS Number(s)
  • 65238-84-8
InChIKey XDWXWKXFGAHWPL-UHFFFAOYSA-N
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