N-{3-[6-(2-Benzyloxy-phenyl)-pyrimidin-4-ylamino]-benzyl}-methanesulfonamide

HCID 53257232
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CS(=O)(=O)NCc1cccc(Nc2cc(-c3ccccc3OCc3ccccc3)ncn2)c1
InChIKey
UEAMQRSSFHBUII-UHFFFAOYSA-N
Molecular formula
C25H24N4O3S
Average molar mass
460.5 g/mol

Names & identifiers

Preferred name
N-{3-[6-(2-Benzyloxy-phenyl)-pyrimidin-4-ylamino]-benzyl}-methanesulfonamide
IUPAC
N-[[3-[[6-(2-phenylmethoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]methanesulfonamide

Names & synonyms

SCHEMBL2024692UEAMQRSSFHBUII-UHFFFAOYSA-NN-{3-[6-(2-Benzyloxy-phenyl)-pyrimidin-4-ylamino]-benzyl}-methanesulfonamide

Database identifiers

PubChem CID
53257232

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
102 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
33

Related reactions

1 records
New reaction record

Compound notes

Loading…