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

Molecule SVG Image

Properties Simple | Detailed

Formula C21H14F4N6O2
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 458.368 g·mol−1
Heat of Formation -760.6 ± 16.7 kJ·mol−1
Dipole Moment 6.96 ± 1.08 D
Volume 469.45 Å 3
Surface Area 421.63 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 1.86 ± 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
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F