Dapivirine (TMC120)

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Names

[ CAS No. ]:
244767-67-7

[ Name ]:
Dapivirine (TMC120)

[Synonym ]:
4-{[4-(Mesitylamino)-2-pyrimidinyl]amino}benzonitrile
4-({4-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl}amino)benzenecarbonitrile
Dapivirine (TMC120)
TMC120
Benzonitrile, 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]-
R-147681
4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]benzonitrile
UNII: TCN4MG2VXS
Dapivirine
4-{[4-(Mesitylamino)pyrimidin-2-yl]amino}benzonitrile
UNII-TCN4MG2VXS
dapivirinum

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
557.9±60.0 °C at 760 mmHg

[ Molecular Formula ]:
C20H19N5

[ Molecular Weight ]:
329.398

[ Flash Point ]:
291.2±32.9 °C

[ Exact Mass ]:
329.164032

[ PSA ]:
73.63000

[ LogP ]:
3.98

[ Vapour Pressure ]:
0.0±1.5 mmHg at 25°C

[ Index of Refraction ]:
1.649

[ Storage condition ]:
-20°C

Safety Information

[ Hazard Codes ]:
Xi

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-Aminobenzonitrile
  • 4-[(4,6-Dichloropyrimidin-2-yl)amino]benzonitrile
  • 4-(4-chloro-6-(mesitylamino)pyrimidin-2-ylamino)benzonitrile

DownStream

Related Compounds

  • Dapivirine-d11
  • 4-Cyclobutylidene-N-(2-methylphenyl)piperidine-1-carboxamide
  • 2-(2H-1,3-benzodioxol-5-yl)-1-[2-(1-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethan-1-one
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-4-(2-phenyl-2H-1,2,3-triazole-4-carbonyl)-1,4-diazepane
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde