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CAS 939431-68-2

:

4-[[6-Amino-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile

Description:
4-[[6-Amino-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile, identified by its CAS number 939431-68-2, is a synthetic organic compound characterized by its complex molecular structure, which includes multiple functional groups. This compound features a pyrimidine ring, which is known for its role in various biological activities, and an aromatic system that contributes to its stability and reactivity. The presence of amino and cyano groups suggests potential for hydrogen bonding and electronic interactions, making it a candidate for various applications in medicinal chemistry, particularly in the development of pharmaceuticals. Its dimethyl substitution on the benzene ring may influence its lipophilicity and solubility, affecting its bioavailability. The compound's specific properties, such as melting point, solubility, and reactivity, would depend on its molecular interactions and the environment in which it is studied. Overall, this compound exemplifies the complexity and diversity of organic molecules used in drug design and development.
Formula:C20H16N6O
InChI:InChI=1S/C20H16N6O/c1-12-7-15(11-22)8-13(2)19(12)27-18-9-17(23)25-20(26-18)24-16-5-3-14(10-21)4-6-16/h3-9H,1-2H3,(H3,23,24,25,26)
InChI key:InChIKey=QELKPCHCXREHAE-UHFFFAOYSA-N
SMILES:O(C1=NC(NC2=CC=C(C#N)C=C2)=NC(N)=C1)C3=C(C)C=C(C#N)C=C3C
Synonyms:
  • 4-[[6-Amino-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile
  • Benzonitrile, 4-[[6-amino-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-
  • 4-[[6-amino-2-(4-cyanoanilino)-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile
  • Etravirine Impurity 12
  • 4-({6-amino-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile
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