8-Azetidin-3-ylmethyl-2-(2-methylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purine

HCID 59605459

Basic information

Standard SMILES
Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CC3CNC3)n(C)c2n1
InChIKey
GBHFLOBSZKAIBE-UHFFFAOYSA-N
Molecular formula
C22H26N8O
Average molar mass
418.5 g/mol

Names & identifiers

Preferred name
8-Azetidin-3-ylmethyl-2-(2-methylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purine
IUPAC
4-[8-(azetidin-3-ylmethyl)-9-methyl-2-(2-methylbenzimidazol-1-yl)purin-6-yl]morpholine

Names & synonyms

SCHEMBL2673139GBHFLOBSZKAIBE-UHFFFAOYSA-N8-Azetidin-3-ylmethyl-2-(2-methylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purine4-(8-(azetidin-3-ylmethyl)-9-methyl-2-(2-methyl-1H-benzo[d]imidazol-1-yl)-9H-purin-6-yl)morpholine

Database identifiers

PubChem CID
59605459

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
85.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
31

Related reactions

17 records

Compound notes

Loading…