4-(2-Chloro-5-methylpyrimidin-4-ylamino)-2-chlorobenzonitrile

HCID 57516484
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Basic information

Standard SMILES
Cc1cnc(Cl)nc1Nc1ccc(C#N)c(Cl)c1
InChIKey
MNATXMOMEVYVPO-UHFFFAOYSA-N
Molecular formula
C12H8Cl2N4
Average molar mass
279.12 g/mol

Names & identifiers

Preferred name
4-(2-Chloro-5-methylpyrimidin-4-ylamino)-2-chlorobenzonitrile
IUPAC
2-chloro-4-[(2-chloro-5-methylpyrimidin-4-yl)amino]benzonitrile

Names & synonyms

4-(2-Chloro-5-methylpyrimidin-4-ylamino)-2-chlorobenzonitrile1210806-72-6SCHEMBL264349MNATXMOMEVYVPO-UHFFFAOYSA-NDB-084689

Database identifiers

PubChem CID
57516484

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
61.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
18

Related reactions

6 records
New reaction record

Compound notes

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