6-(4-chloropyrimidin-5-yl)-9-(tetrahydro-2H-pyran-2-yl)-9H-purine

HCID 59627368
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Clc1ncncc1-c1ncnc2c1ncn2C1CCCCO1
InChIKey
LNDGLKVOQNQYDP-UHFFFAOYSA-N
Molecular formula
C14H13ClN6O
Average molar mass
316.74 g/mol

Names & identifiers

Preferred name
6-(4-chloropyrimidin-5-yl)-9-(tetrahydro-2H-pyran-2-yl)-9H-purine
IUPAC
6-(4-chloropyrimidin-5-yl)-9-(oxan-2-yl)purine

Names & synonyms

SCHEMBL3643112LNDGLKVOQNQYDP-UHFFFAOYSA-N6-(4-chloropyrimidin-5-yl)-9-(tetrahydro-2H-pyran-2-yl)-9H-purine

Database identifiers

PubChem CID
59627368

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
78.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
22

Related reactions

3 records
New reaction record

Compound notes

Loading…