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CAS 244768-32-9

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4-[(4-Chloro-2-pyrimidinyl)amino]benzonitrile

Description:
4-[(4-Chloro-2-pyrimidinyl)amino]benzonitrile, with the CAS number 244768-32-9, is a chemical compound characterized by its specific molecular structure, which includes a benzonitrile moiety and a pyrimidine ring substituted with a chlorine atom. This compound typically exhibits properties such as being a solid at room temperature, with potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. The presence of the chloro and amino functional groups suggests that it may engage in hydrogen bonding and other interactions, influencing its solubility and reactivity. Additionally, the compound may exhibit biological activity, making it of interest for research in areas such as cancer treatment or other therapeutic applications. Its synthesis and characterization would involve standard organic chemistry techniques, and it may be analyzed using methods such as NMR spectroscopy, mass spectrometry, and chromatography to confirm its purity and structural integrity.
Formula:C11H7ClN4
InChI:InChI=1S/C11H7ClN4/c12-10-5-6-14-11(16-10)15-9-3-1-8(7-13)2-4-9/h1-6H,(H,14,15,16)
InChI key:InChIKey=QXCHAADSAYQDHL-UHFFFAOYSA-N
SMILES:N(C1=CC=C(C#N)C=C1)C=2N=C(Cl)C=CN2
Synonyms:
  • 4-N[2(4-chloropyrimidinyl)] aminobenzonnitrile
  • 4-N[2(4-chloropyrimidinyl)]-amino benzonitrile
  • 4-[(4-Chloropyrimidin-2-Yl)Amino]Benzonitrile
  • Benzonitrile, 4-[(4-chloro-2-pyrimidinyl)amino]-
  • 4-[(4-Chloro-2-pyrimidinyl)amino]benzonitrile
  • 4-[(4-chloro-2-pyrimidinyl) amino]benzonitrile
  • 4-[(4-Chloro-2-pyrimidinyl)amino]benzonitrile
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