4-[[4-[(2,6-Dichlorophenyl)methyl]-6-[[(dimethylamino)methylene]amino]-1,3,5-triazin-2-yl]amino]benzonitrile

HCID 486445

Basic information

Standard SMILES
CN(C)C=Nc1nc(Cc2c(Cl)cccc2Cl)nc(Nc2ccc(C#N)cc2)n1
InChIKey
WQEMDXNZAJYTOF-UHFFFAOYSA-N
Molecular formula
C20H17Cl2N7
Average molar mass
426.3 g/mol

Names & identifiers

Preferred name
4-[[4-[(2,6-Dichlorophenyl)methyl]-6-[[(dimethylamino)methylene]amino]-1,3,5-triazin-2-yl]amino]benzonitrile
IUPAC
N'-[4-(4-cyanoanilino)-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide

Names & synonyms

SCHEMBL5002088SCHEMBL5002091WQEMDXNZAJYTOF-UHFFFAOYSA-N4-[[4-[(2,6-dichlorophenyl)methyl] -6-[[(dimethylamino)methylene] amino] -1,3,5-triazin-2-yl]amino]benzonitrile4-[[4-[(2,6-dichlorophenyl)methyl]-6-[[(dimethylamino)methylene]amino]-1,3,5-triazin-2-yl]amino]benzonitrile

Database identifiers

PubChem CID
486445

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
90.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
29

Related reactions

5 records

Compound notes

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