3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide

Base Information

• Chemical Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide
• CAS No.: 926036-34-2
• Molecular Formula: C20H13F3N4O
• ChEMBL ID: CHEMBL375819
• DSSTox Substance ID: DTXSID501142870
• Pharos Ligand ID: 3RPMSQ75YKHQ

Synonyms:alkynylpyrimidine amide 6b;CHEMBL375819;SCHEMBL22683128;BDBM14951;DTXSID501142870;3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide;926036-34-2;3-(2-(2-aminopyrimidin-5-yl)ethynyl)-N-(3-(trifluoromethyl)-phenyl)benzamide;3-[2-(2-Amino-5-pyrimidinyl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide

Chemical Property of 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 382.10414554
• Heavy Atom Count: 28
• Complexity: 604

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Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C#CC3=CN=C(N=C3)N

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