Basic information
- CAS
269055-04-1- Standard SMILES
Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)ncc1Br- InChIKey
GNELAKVSOPMFKN-UHFFFAOYSA-N- Molecular formula
- C20H14BrN5O
- Average molar mass
- 420.3 g/mol
- Monoisotopic mass
- 419.03817
Names & identifiers
- Preferred name
- Etravirine impurity 5
- IUPAC
- 4-[5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
- English name
- Etravirine Impurity 10
- Molecular formula
- C20H14BrN5O
- Molecular weight
- 420.26
Names & synonyms
Etravirine impurity 5P6MT568GMV269055-04-1UNII-P6MT568GMVR-1577534-((5-Bromo-2-((4-cyanophenyl)amino)-4-pyrimidinyl)oxy)-3,5-dimethylbenzonitrileBenzonitrile, 4-((5-bromo-2-((4-cyanophenyl)amino)-4-pyrimidinyl)oxy)-3,5-dimethyl-CHEMBL439757SCHEMBL11819474-[5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile4-{5-Bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yloxy}-3,5-dimethylbenzenecarbonitrileEtravirine Impurity 10
Show more names
Benzonitrile, 4-[[5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-4-((5-bromo-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrileQ: What is 4-((5-bromo-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile Q: What is the CAS Number of 4-((5-bromo-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 578
Physicochemical properties
- Boiling point
- 601.5 · 601.5±65.0 °C(Predicted)
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- pka
- 1.45 · 1.45±0.10(Predicted)
- FDA UNII
- 6 MT568GMV · P6MT568GMV
Chemistry & industry
Suppliers4 total
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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