Rilpivirine

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Formula C22H18N6
IUPAC Name 4-[[4-[4-[(e)-2-cyanovinyl]-2,6-dimethyl-anilino]-5h-pyrimidine-1,3-diium-5-id-2-yl]amino]benzonitrile
Molecular Mass 366.419 g·mol−1
Heat of Formation 609.0 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 448.69 Å 3
Surface Area 407.07 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 0.77 ± eV
Point Group Symmetry C1
Synonyms
  • 4-((4-((4-((1e)-2-cyanoethenyl)-2,6-dimethylphenyl)amino)-2-pyrimidinyl)amino)benzonitrile
  • 4-[[4-[[4-[(e)-2-cyanoethenyl]-2,6-dimethyl-phenyl]amino]pyrimidin-2-yl]amino]benzonitrile
  • 4-[[4-[[4-[(e)-2-cyanoethenyl]-2,6-dimethylphenyl]amino]pyrimidin-2-yl]amino]benzonitrile
  • 4-[[4-[[4-[(e)-2-cyanovinyl]-2,6-dimethyl-phenyl]amino]pyrimidin-2-yl]amino]benzonitrile
  • 4-[[4-[[4-[(e)-2-cyanovinyl]-2,6-dimethylphenyl]amino]-2-pyrimidinyl]amino]benzonitrile
  • 4-{4-[4-((e)-2-cyano-vinyl)-2,6-dimethyl-phenylamino]-pyrimidin-2-ylamino}-benzonitrile
  • benzonitrile, 4-((4-((4-((1e)-2-cyanoethenyl)-2,6-dimethylphenyl)amino)-2-pyrimidinyl)amino)-
  • r 278474
  • r278474
  • t27
  • tmc278
CAS Number(s)
  • 500287-72-9
InChIKey YIBOMRUWOWDFLG-ONEGZZNKSA-N
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