6-(2-fluoropyridin-3-yl)-2-methyl-9-(tetrahydro-2H-pyran-2-yl)-9H-purine

HCID 59548468
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1nc(-c2cccnc2F)c2ncn(C3CCCCO3)c2n1
InChIKey
AJRDZMLOUYEKLO-UHFFFAOYSA-N
Molecular formula
C16H16FN5O
Average molar mass
313.33 g/mol

Names & identifiers

Preferred name
6-(2-fluoropyridin-3-yl)-2-methyl-9-(tetrahydro-2H-pyran-2-yl)-9H-purine
IUPAC
6-(2-fluoro-3-pyridinyl)-2-methyl-9-(oxan-2-yl)purine

Names & synonyms

SCHEMBL114895SCHEMBL29878036AJRDZMLOUYEKLO-UHFFFAOYSA-N6-(2-fluoropyridin-3-yl)-2-methyl-9-(tetrahydro-2H-pyran-2-yl)-9H-purine

Database identifiers

PubChem CID
59548468

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
65.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
23

Related reactions

22 records
New reaction record

Compound notes

Loading…