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CAS 269055-76-7

:

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

Description:
4-[[5-Bromo-6-chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile, with CAS number 269055-76-7, is a synthetic organic compound characterized by its complex molecular structure, which includes multiple functional groups. It features a pyrimidine ring substituted with bromine and chlorine atoms, contributing to its potential biological activity. The presence of a cyanophenyl group suggests possible interactions with biological targets, making it of interest in medicinal chemistry. The compound also contains a benzonitrile moiety, which may enhance its lipophilicity and facilitate membrane permeability. Its dimethyl substitution on the benzene ring indicates steric hindrance, which can influence its reactivity and binding properties. Overall, this compound is likely to exhibit specific pharmacological properties, and its synthesis and characterization would typically involve techniques such as NMR spectroscopy, mass spectrometry, and chromatography to confirm its purity and structural integrity. Further studies would be necessary to elucidate its biological activity and potential applications in drug development.
Formula:C20H13BrClN5O
InChI:InChI=1S/C20H13BrClN5O/c1-11-7-14(10-24)8-12(2)17(11)28-19-16(21)18(22)26-20(27-19)25-15-5-3-13(9-23)4-6-15/h3-8H,1-2H3,(H,25,26,27)
InChI key:InChIKey=ODWHQRYHASBLKO-UHFFFAOYSA-N
SMILES:O(C1=NC(NC2=CC=C(C#N)C=C2)=NC(Cl)=C1Br)C3=C(C)C=C(C#N)C=C3C
Synonyms:
  • 4-[[5-Bromo-6-chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile
  • Benzonitrile, 4-[[5-bromo-6-chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-
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