4-[[5-Bromo4-(4-cyano-2,6-dimethylphenoxy)-6-(methoxyamino)-2-pyrimidinyl]amino]benzonitrile

HCID 22170105

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

Related reactions

7 records

Linked notes

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