3,4-Dihydro-6-(3,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-methyl-4-(2,4,6-trimethylphenylimino)pyrimidine

HCID 20152285
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(-c2cc(=Nc3c(C)cc(C)cc3C)n(C)c(N3CCN(C(=O)c4ccc(F)cc4)CC3)n2)cc1OC
InChIKey
JINUCNYEKUURHI-UHFFFAOYSA-N
Molecular formula
C33H36FN5O3
Average molar mass
569.7 g/mol
Monoisotopic mass
569.28021819

Names & identifiers

Preferred name
3,4-Dihydro-6-(3,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-methyl-4-(2,4,6-trimethylphenylimino)pyrimidine
IUPAC
[4-[4-(3,4-dimethoxyphenyl)-1-methyl-6-(2,4,6-trimethylphenyl)iminopyrimidin-2-yl]piperazin-1-yl]-(4-fluorophenyl)methanone

Names & synonyms

SCHEMBL10688578SCHEMBL10688585JINUCNYEKUURHI-UHFFFAOYSA-N3,4-dihydro-6-(3,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-methyl-4-(2,4,6-trimethylphenylimino)pyrimidine

Database identifiers

PubChem CID
20152285

Properties

Computed structural properties

XLogP
5
Topological polar surface area
70 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
42

Related reactions

2 records
New reaction record

Compound notes

Loading…