Etravirine

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Properties Simple | Detailed

Formula C20H15BrN6O
IUPAC Name 4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidine-1,3-diium-5-id-4-yl]oxy-3,5-dimethyl-benzonitrile
Molecular Mass 435.277 g·mol−1
Heat of Formation 391.8 ± 16.7 kJ·mol−1
Dipole Moment 10.22 ± 1.08 D
Volume 456.93 Å 3
Surface Area 374.75 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • 4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile
  • 4-[6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile
  • 4-[6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
  • 4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile
  • 65b
  • benzonitrile, 4-((6-amino-5-bromo-2-((4-cyanophenyl)amino)-4-pyrimidinyl)oxy)-3,5-dimethyl-
  • benzonitrile, 4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-
  • d04112
  • dapy deriv
  • diaminopyrimidine deriv
  • etravirine (usan)
  • intelence
  • r-165335
  • r165335
  • r165335-tmc125
  • tmc 125
  • tmc-125
  • tmc-125/r-165335
  • tmc125
CAS Number(s)
  • 269055-15-4
  • 394729-17-0
InChIKey PYGWGZALEOIKDF-UHFFFAOYSA-N
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