1-[3-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethanone

Base Information

• Chemical Name: 1-[3-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethanone
• CAS No.: 70579-34-9
• Molecular Formula: C13H17N5O
• Molecular Weight: 259.311
• ChEMBL ID: CHEMBL6755
• DSSTox Substance ID: DTXSID90581792
• Nikkaji Number: J325.392I
• Wikidata: Q82473049
• Mol file: 70579-34-9.mol

Synonyms:70579-34-9;CHEMBL6755;1-(3-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)ethanone;1-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethanone;DTXSID90581792;BDBM50291799;Ethanone, 1-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-;1-[3-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]ethan-1-one;1-[3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-phenyl]-ethanone

Chemical Property of 1-[3-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethanone

Chemical Property:

• PSA: 92.07000
• LogP: 2.41610
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 259.14331018
• Heavy Atom Count: 19
• Complexity: 440

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=CC=C1)N2C(=NC(=NC2(C)C)N)N

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