Basic information
- CAS
205381-66-4- Standard SMILES
Cc1cc(C)c(C)c(Cc2nc(N)nc(Nc3ccc(C#N)cc3)n2)c1C- InChIKey
JLFIGWIBNSPGAG-UHFFFAOYSA-N- Molecular formula
- C21H22N6
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.19059473
Names & identifiers
- Preferred name
- 4-((3-Amino-5-((2,3,5,6-tetramethylphenyl)methyl)1,3,5-triazin-2-yl)amino)benzenecarbonitrile
- IUPAC
- 4-[[4-amino-6-[(2,3,5,6-tetramethylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile
Names & synonyms
205381-66-44-((3-Amino-5-((2,3,5,6-tetramethylphenyl)methyl)1,3,5-triazin-2-yl)amino)benzenecarbonitrile4-((4-Amino-6-(2,3,5,6-tetramethylbenzyl)-1,3,5-triazin-2-yl)amino)benzonitrile4-[[4-amino-6-[(2,3,5,6-tetramethylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile4-{[4-amino-6-(2,3,5,6-tetramethylbenzyl)-1,3,5-triazin-2-yl]amino}benzonitrile4-({4-AMINO-6-[(2,3,5,6-TETRAMETHYLPHENYL)METHYL]-1,3,5-TRIAZIN-2-YL}AMINO)BENZONITRILE4-({3-Amino-5-[(2,3,5,6-tetramethylphenyl)methyl]1,3,5-triazin-2-yl}amino)benzenecarbonitrileCHEMBL307865DTXSID20174535
Database identifiers
- CAS
205381-66-4- PubChem CID
- 486405
- DTXSID
DTXSID20174535- ChEMBL
CHEMBL307865- Nikkaji
- J1.588.566A
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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