3-({Cyclopentyl-[4-(4-hydroxy-phenyl)-pyrimidin-2-yl]-amino}-methyl)-benzoic acid methyl ester

HCID 136352437
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1cccc(CN(c2nccc(-c3ccc(O)cc3)n2)C2CCCC2)c1
InChIKey
ULYGKBKAFRQZBQ-UHFFFAOYSA-N
Molecular formula
C24H25N3O3
Average molar mass
403.5 g/mol

Names & identifiers

Preferred name
3-({Cyclopentyl-[4-(4-hydroxy-phenyl)-pyrimidin-2-yl]-amino}-methyl)-benzoic acid methyl ester
IUPAC
methyl 3-[[cyclopentyl-[4-(4-hydroxyphenyl)pyrimidin-2-yl]amino]methyl]benzoate

Names & synonyms

SCHEMBL3452173ULYGKBKAFRQZBQ-UHFFFAOYSA-N3-({cyclopentyl-[4-(4-hydroxy-phenyl)-pyrimidin-2-yl]-amino}-methyl)-benzoic acid methyl ester

Database identifiers

PubChem CID
136352437

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
75.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
30

Related reactions

3 records
New reaction record

Linked notes

Loading…