chempirical

Oxipurinol

C5H4N4O2CAS 2465-59-0152.11 g/mol

Open in Covalent MOL file
ONNHNHOHN
Phenol

Properties

Molecular formula
C5H4N4O2
Molar mass
152.11 g/mol
Exact mass
152.0334 Da
Melting point
above 300 °C
logP
-0.70Crippen estimate
Polar surface area
94.7 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
0

Identifiers

CAS number
2465-59-0
SMILES
O=c1nc2[nH][nH]cc-2c(O)n1
InChIKey
HXNFUBHNUDHIGC-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • 1H-Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
  • 4H-Pyrazolo[3,4-d]pyrimidine-4,6(5H)-dione, 1,7-dihydro-
  • Alloxanthine
  • Oxypurinol
  • 4,6-Dihydroxypyrazolo[3,4-d]pyrimidine
  • Oxoallopurinol
  • 1H-Pyrazolo[3,4-d]pyrimidin-4,6-diol
  • BW 55-5
  • 1H,3H,9H-Alloxanthine
  • 4,6-Dioxopyrazolo[3,4-d]pyrimidine
  • NSC 76239
  • Oxyprim
  • 1H,4H,5H,6H,7H-Pyrazolo[3,4-d]pyrimidine-4,6-dione

Work with Oxipurinol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,5,6,7-Tetrahydro-6-thioxo-4H-pyrazolo[3,4-D]pyrimidin-4-one24521-76-459 % similar 4-Amino-6-hydroxypyrazolo[3,4-D]pyrimidine5472-41-342 % similar 4-Amino-1,7-dihydro-6H-pyrazolo[3,4-D]pyrimidine-6-thione23771-52-035 % similar 1H-Pyrazolo[3,4-D]pyrimidin-4-amine2380-63-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-(1,4,5,6-Tetrahydro-4,6-dioxo-2-pyrimidinyl)cyanamide55067-10-2 Xanthine69-89-6

Elsewhere

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