Basic information
- Standard SMILES
CONc1nc(Nc2ccc(C#N)cc2)nc(Oc2c(C)cc(C#N)cc2C)c1Br- InChIKey
FVWFYSPVGVTHSU-UHFFFAOYSA-N- Molecular formula
- C21H17BrN6O2
- Average molar mass
- 465.3 g/mol
Names & identifiers
- Preferred name
- 4-[[5-Bromo4-(4-cyano-2,6-dimethylphenoxy)-6-(methoxyamino)-2-pyrimidinyl]amino]benzonitrile
- IUPAC
- 4-[5-bromo-2-(4-cyanoanilino)-6-(methoxyamino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
Names & synonyms
SCHEMBL2265344FVWFYSPVGVTHSU-UHFFFAOYSA-N4-[[5-bromo-4-(4-cyano-2,6-dimethylphenoxy)-6-(methoxyamino)-2-pyrimidinyl]amino]-benzonitrile4-[[5-bromo-4-(4-cyano-2,6-dimethylphenoxy)-6-(methoxyamino)-2-pyrimidinyl]amino]benzonitrile4-[[5-bromo4-(4-cyano-2,6-dimethylphenoxy)-6-(methoxyamino)-2-pyrimidinyl]amino]benzonitrile
Database identifiers
- PubChem CID
- 22170105
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 642
Related reactions
7 records
Linked notes
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