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

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
  • 1,7-bis(2-methoxyethyl)-3,9-dimethyl-5,7,9-trihydro-4H-1,2,4-triazino[4,3-h]pu rine-6,8-dione
  • 2,2'-(3,9-dimethyl-6,8-dioxo-8,9-dihydro-[1,2,4]triazino[3,4-f]purine-1,7(4H,6H)-diyl)diacetamide
  • N-(5-(3-(methylthio)phenyl)-1,3,4-oxadiazol-2-yl)-4-(piperidin-1-ylsulfonyl)benzamide
  • 4-[methyl(phenyl)sulfamoyl]-N-{5-[4-(methylsulfanyl)phenyl]-1,3,4-oxadiazol-2-yl}benzamide
  • 3-benzenesulfonamido-N-[5-(2-methanesulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
  • N-(5-(3-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-4-(piperidin-1-ylsulfonyl)benzamide
  • N-(5-(3-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-yl)-2,2-diphenylacetamide
  • N-(2-benzoyl-4-bromophenyl)-2-(ethylsulfonyl)benzamide
  • 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
  • 2-{[4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
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