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

HCID 57761175
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COCc1nc(-c2cccc(Cl)c2)cc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1
InChIKey
ZMDKPGJSOOMDSP-UHFFFAOYSA-N
Molecular formula
C22H21ClF3N5O
Average molar mass
463.9 g/mol

Names & identifiers

Preferred name
4-(3-Chloro-phenyl)-2-methoxymethyl-6-[4-(3-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-pyrimidine
IUPAC
4-(3-chlorophenyl)-2-(methoxymethyl)-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine

Names & synonyms

4-(3-chloro-phenyl)-2-methoxymethyl-6-[4-(3-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-pyrimidineSCHEMBL3879636

Database identifiers

PubChem CID
57761175

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
54.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
32

Related reactions

3 records
New reaction record

Compound notes

Loading…