4-[[4-[2,6-Dichloro-4-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]benzonitrile

HCID 488774

Basic information

Standard SMILES
N#Cc1ccc(Nc2nccc(Nc3c(Cl)cc(C(F)(F)F)cc3Cl)n2)cc1
InChIKey
GZHZZSSHNAJANR-UHFFFAOYSA-N
Molecular formula
C18H10Cl2F3N5
Average molar mass
424.2 g/mol

Names & identifiers

Preferred name
4-[[4-[2,6-Dichloro-4-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]benzonitrile
IUPAC
4-[[4-[2,6-dichloro-4-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]benzonitrile

Names & synonyms

4-[[4-[2,6-dichloro-4-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]benzonitrileSCHEMBL11817134-[[4-[[2,6-dichloro-4-(trifluoromethyl)-phenyl ]amino]-2-pyrimidinyl]amino]benzonitrile4-[[4-[[2,6-dichloro-4-(trifluoromethyl)-phenyl]amino]-2-pyrimidinyl]amino]benzonitrile

Database identifiers

PubChem CID
488774

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
73.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
28

Related reactions

6 records

Compound notes

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