1-{4-[4-Amino-6-(4-Methoxyphenyl)Furo[2,3-D]Pyrimidin-5-Yl]Phenyl}-3-[2-Fluoro-5-(Trifluoromethyl)Phenyl]Urea

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Properties Simple | Detailed

Formula C27H19F4N5O3
IUPAC Name 1-[4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
Molecular Mass 537.465 g·mol−1
Heat of Formation -806.8 ± 16.7 kJ·mol−1
Dipole Moment 8.89 ± 1.08 D
Volume 571.48 Å 3
Surface Area 496.45 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[4-[4-amino-6-(4-methoxyphenyl)-5-furo[5,4-d]pyrimidinyl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
  • 1-[4-[4-amino-6-(4-methoxyphenyl)furo[5,4-d]pyrimidin-5-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
  • furo[2,3-d]pyrimidine deriv. 7k
  • n-(4-{4-amino-6-[4-(methyloxy)phenyl]furo[2,3-d]pyrimidin-5-yl}phenyl)-n'-[2-fluoro-5-(trifluoromethyl)phenyl]urea
InChIKey FGZIONRFHVNRJB-UHFFFAOYSA-N
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