General
Preferred name
PURINE
Synonyms
¦Â-Purine ()
7H-Imidazo(4,5-d)pyrimidine ()
Purine (6CI,8CI) ()
3,5,7-Triazaindole ()
3H-Imidazo[4,5-d]pyrimidine ()
6H-Imidazo[4,5-d]pyrimidine ()
7H-Purine ()
Isopurine ()
NSC 753 ()
β-Purine ()
9H-Purine ()
P&D ID
PD099057
CAS
120-73-0
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
4
Cayman Chemical Bioactives
30853
MedChem Express Bioactive Compound Library
HY-34431
Selleckchem Bioactive Compound Library
purine
TargetMol Bioactive Compound Library
T4746
External IDs
40
Properties
(calculated by RDKit )
Molecular Weight
120.04
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
2
cLogP
0.35
TPSA
54.46
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.55
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
DNA/RNA Synthesis
Source data