Dapivirine

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Properties Simple | Detailed

Formula C20H20N5
IUPAC Name 4-[[4-(2,4,6-trimethylanilino)-5h-pyrimidine-1,3-diium-5-id-2-yl]amino]benzonitrile
Molecular Mass 330.406 g·mol−1
Heat of Formation 382.6 ± 16.7 kJ·mol−1
Dipole Moment 7.17 ± 1.08 D
Volume 406.87 Å 3
Surface Area 367.86 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • 4-((4-((2,4,6-trimethylphenyl)amino)pyrimidin-2-yl)amino)benzonitrile
  • 4-({4-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl}amino)benzenecarbonitrile
  • 4-[4-(2,4,6-trimethyl-phenylamino)-pyrimidin-2-ylamino]-benzonitrile
  • 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]benzonitrile
  • 4-[[4-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl]amino]benzonitrile
  • dapivirinum
  • r 147681
  • r147681
  • tmc 120
  • tmc-120
  • tmc-120/r-147681
  • tmc120
  • tmc120-r147681
CAS Number(s)
  • 244767-67-7
InChIKey ILAYIAGXTHKHNT-UHFFFAOYSA-N
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Elements H C N