2-{2-[4-(4-Chloro-3-trifluoromethyl-phenoxy)-phenyl]-ethylamino}-1-methyl-5-pyrimidin-5-ylmethyl-1H-pyrimidin-4-one

HCID 67775771
Substructure searchFind similar structures

Basic information

Standard SMILES
Cn1cc(Cc2cncnc2)c(=O)nc1NCCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIKey
GLMBLADSWGUVBQ-UHFFFAOYSA-N
Molecular formula
C25H21ClF3N5O2
Average molar mass
515.9 g/mol
Monoisotopic mass
515.1335871

Names & identifiers

Preferred name
2-{2-[4-(4-Chloro-3-trifluoromethyl-phenoxy)-phenyl]-ethylamino}-1-methyl-5-pyrimidin-5-ylmethyl-1H-pyrimidin-4-one
IUPAC
2-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethylamino]-1-methyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Names & synonyms

2-{2-[4-(4-Chloro-3-trifluoromethyl-phenoxy)-phenyl]-ethylamino}-1-methyl-5-pyrimidin-5-ylmethyl-1H-pyrimidin-4-oneSCHEMBL9107813

Database identifiers

PubChem CID
67775771

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
79.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
36

Related reactions

2 records
New reaction record

Linked notes

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