4-({4-[(4-Bromo-2,6-dimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile
Basic information
- CAS
374067-85-3- Standard SMILES
Cc1cc(Br)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1- InChIKey
MKODFMNTDYAPSG-UHFFFAOYSA-N- Molecular formula
- C19H16BrN5
- Average molar mass
- 394.3 g/mol
- Monoisotopic mass
- 393.05891
Names & identifiers
- Preferred name
- 4-({4-[(4-Bromo-2,6-dimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile
- IUPAC
- 4-[[4-(4-bromo-2,6-dimethylanilino)pyrimidin-2-yl]amino]benzonitrile
- English name
- 4-[[4-[(4-Bromo-2,6-dimethylphenyl)amino]-2-pyrididinyl]amino]-benzonitrile
- Molecular formula
- C19H16BrN5
- Molecular weight
- 394.27
Names & synonyms
374067-85-34-({4-[(4-bromo-2,6-dimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrileDespropenenitrile Bromo RilpivirineHIV-1 inhibitor-484-((4-((4-Bromo-2,6-dimethylphenyl)amino)pyrimidin-2-yl)amino)benzonitrile4-[[4-(4-bromo-2,6-dimethylanilino)pyrimidin-2-yl]amino]benzonitrile4-(4-(4-bromo-2,6-dimethylphenylamino)pyrimidin-2-ylamino)benzonitrile4-[[4-(4-bromo-2,6-dimethyl-anilino)pyrimidin-2-yl]amino]benzonitrile4-((4-[(4-BROMO-2,6-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL)AMINO)BENZONITRILE4-[[4-[(4-BROMO-2,6-DIMETHYLPHENYL)AMINO]-2-PYRIDIDINYL]AMINO]-BENZONITRILE4-{[4-(4-Bromo-2,6-dimethylanilino)pyrimidin-2-yl]amino}benzonitrile4-[[4-[(4-Bromo-2,6-dimethylphenyl)amino]-2-pyrimidinyl]amino]benzonitrile
Show more names
Oseltamivir Impurity 232Rilpivirine Bromo ImpurityDespropenenitrile Bromo Rilpivirin4-[[4-[(4-BroMo-2,6-diMethylphenyl)aMino]-2-pyriMidinyl]aMino]-benzonitrileBenzonitrile, 4-[[4-[(4-bromo-2,6-dimethylphenyl)amino]-2-pyrimidinyl]amino]-4-[[4-[(4-bromo-2,6-dimethylphenyl)amino]-2-pyridine]amino]benzenemethylnitrile
MFCD08443695C19H16BrN5CHEMBL70976orb1744810SCHEMBL10177332DTXSID60333184AKOS015918067HE-0078
Database identifiers
- CAS
374067-85-3- PubChem CID
- 488765
- DTXSID
DTXSID60333184- ChEMBL
CHEMBL70976- Nikkaji
- J1.588.784B
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Melting point
- 225 · 225-227°C
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Acetonitrile (Very Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Pale Yellow
Chemistry & industry
Applications
UsesRilpivirine (R509800) derivative.
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Related reactions
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Compound notes
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