Basic information
- CAS
205381-57-3- Standard SMILES
Cc1ccc(C)c(Cc2nc(N)nc(Nc3ccc(C#N)cc3)n2)c1- InChIKey
LLGOZABJJRJOAC-UHFFFAOYSA-N- Molecular formula
- C19H18N6
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.1592946
Names & identifiers
- Preferred name
- 4-((3-Amino-5-((2,5-dimethylphenyl)methyl)1,3,5-triazin-2-yl)amino)benzenecarbonitrile
- IUPAC
- 4-[[4-amino-6-[(2,5-dimethylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile
Names & synonyms
205381-57-34-((4-Amino-6-(2,5-dimethylbenzyl)-1,3,5-triazin-2-yl)amino)benzonitrile4-((3-Amino-5-((2,5-dimethylphenyl)methyl)1,3,5-triazin-2-yl)amino)benzenecarbonitrile4-{[4-amino-6-(2,5-dimethylbenzyl)-1,3,5-triazin-2-yl]amino}benzonitrile4-[[4-amino-6-[(2,5-dimethylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile4-({4-AMINO-6-[(2,5-DIMETHYLPHENYL)METHYL]-1,3,5-TRIAZIN-2-YL}AMINO)BENZONITRILE4-({3-Amino-5-[(2,5-dimethylphenyl)methyl]1,3,5-triazin-2-yl}amino)benzenecarbonitrileCHEMBL74409DTXSID40174532ZINC00023436
Database identifiers
- CAS
205381-57-3- PubChem CID
- 486403
- DTXSID
DTXSID40174532- ChEMBL
CHEMBL74409- Nikkaji
- J1.588.564E
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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