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Dapivirine,4-[[4-(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl]amino]benzonitrile Structure

Dapivirine,4-[[4-(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl]amino]benzonitrile

Chemical Properties

Melting point 218-222°C
Boiling point 557.9±60.0 °C(Predicted)
Density  1.23±0.1 g/cm3(Predicted)
storage temp.  under inert gas (nitrogen or Argon) at 2–8 °C
solubility  DMSO (Slightly), Methanol (Slightly)
pka 4.74±0.10(Predicted)
form  Solid
color  Off-White to Light Beige
InChI 1S/C20H19N5/c1-13-10-14(2)19(15(3)11-13)24-18-8-9-22-20(25-18)23-17-6-4-16(12-21)5-7-17/h4-11H,1-3H3,(H2,22,23,24,25)
InChIKey ILAYIAGXTHKHNT-UHFFFAOYSA-N
SMILES CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C

Safety Information

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Usage And Synthesis

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