4-[2-Amino-6-(5-chloro-2-ethoxy-phenyl)-pyrimidin-4-ylamino]-benzonitrile

HCID 11372003
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Basic information

Standard SMILES
CCOc1ccc(Cl)cc1-c1cc(Nc2ccc(C#N)cc2)nc(N)n1
InChIKey
LQTHCJGFFHZCHP-UHFFFAOYSA-N
Molecular formula
C19H16ClN5O
Average molar mass
365.8 g/mol

Names & identifiers

Preferred name
4-[2-Amino-6-(5-chloro-2-ethoxy-phenyl)-pyrimidin-4-ylamino]-benzonitrile
IUPAC
4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]benzonitrile

Names & synonyms

SCHEMBL4284720LQTHCJGFFHZCHP-UHFFFAOYSA-N4-[2-Amino-6-(5-chloro-2-ethoxy-phenyl)-pyrimidin-4-ylamino]-benzonitrile4-[2-Amino-6-(5-chloro-2-ethoxy-phenyl)-pyrimidin4-ylamino]-benzonitrile

Database identifiers

PubChem CID
11372003

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
96.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
26

Related reactions

1 records
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Compound notes

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