allopurinol
1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
Molecular Identity
allopurinol
1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID: 135401907
Allopurinol is a bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring. It has a role as an antimetabolite, an EC 1.17.3.2 (xanthine oxidase) inhibitor, a gout suppressant and a radical scavenger. It is an organic heterobicyclic compound and a nucleobase analogue. It derives from a hydride of a 1H-pyrazolo[4,3-d]pyrimidine.
2D Structure
Properties
C5H4N4O
Molecular Formula
136.11
Molecular Weight
g/mol
136.0385
Exact Mass
Da
-0.7
XLogP
Drug-like (Lipinski: < 5)
70.1
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
190
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
allopurinol315-30-01H-Pyrazolo[3,4-d]pyrimidin-4-olZyloricSuspendolTakanaruminAllopurBloxanthUriprimXanturatUrbolKetobun-ANektrohanAdenockAluline
Data from PubChem (NCBI)
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