4-[[5-Bromo-4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile
Basic information
- Standard SMILES
Cc1cc(C)c(Nc2nc(Nc3ccc(C#N)cc3)ncc2Br)c(C)c1- InChIKey
XWKZZWVTKKGHMR-UHFFFAOYSA-N- Molecular formula
- C20H18BrN5
- Average molar mass
- 408.3 g/mol
Names & identifiers
- Preferred name
- 4-[[5-Bromo-4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile
- IUPAC
- 4-[[5-bromo-4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile
Names & synonyms
CHEMBL71882SCHEMBL1183774XWKZZWVTKKGHMR-UHFFFAOYSA-N4-[[5-bromo-4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile4-({5-Bromo-4-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl}amino)benzenecarbonitrile4-[[5-bromo-4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]benzonitrile4-[[5-bromo-4-[(2,4.6-trimethylphenyl)amino]-2-pyrimidinyl]amino]benzonitrile
Database identifiers
- PubChem CID
- 486383
- ChEMBL
CHEMBL71882- Nikkaji
- J1.588.788E
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 486
Related reactions
5 records
Compound notes
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