4-(3-Chloro-4-fluoro-phenyl)-2-methoxy-6-[4-(3-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-pyrimidine

HCID 57761089
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1nc(-c2ccc(F)c(Cl)c2)cc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1
InChIKey
IGESHIXGJHTDNW-UHFFFAOYSA-N
Molecular formula
C21H18ClF4N5O
Average molar mass
467.8 g/mol

Names & identifiers

Preferred name
4-(3-Chloro-4-fluoro-phenyl)-2-methoxy-6-[4-(3-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-pyrimidine
IUPAC
4-(3-chloro-4-fluorophenyl)-2-methoxy-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine

Names & synonyms

4-(3-chloro-4-fluoro-phenyl)-2-methoxy-6-[4-(3-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-pyrimidineSCHEMBL3878811

Database identifiers

PubChem CID
57761089

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
54.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
10
Rotatable bonds
4
Heavy atoms
32

Related reactions

1 records
New reaction record

Compound notes

Loading…