1-[4-(4-Amino-5-Oxopyrido[2,3-D]Pyrimidin-8(5H)-Yl)Phenyl]-3-[2-Fluoro-5-(Trifluoromethyl)Phenyl]Urea

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Properties Simple | Detailed

Formula C21H15F4N6O2+
IUPAC Name 1-[4-(4-amino-5-oxo-6h-pyrido[2,3-d]pyrimidin-8-ium-6-id-8-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
Molecular Mass 459.376 g·mol−1
Heat of Formation -761.6 ± 16.7 kJ·mol−1
Dipole Moment 5.45 ± 1.08 D
Volume 466.31 Å 3
Surface Area 420.21 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[4-(4-amino-5-keto-pyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
  • 1-[4-(4-amino-5-oxo-8-pyrido[2,3-d]pyrimidinyl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
  • 1-[4-(4-amino-5-oxo-pyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
InChIKey OWKPAZCWJGPSQU-UHFFFAOYSA-N
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