7-Deazahypoxanthine

C6H5N3OCAS 3680-71-5135.13 g/mol

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OHNNHN
Phenol

Properties

Molecular formula
C6H5N3O
Molar mass
135.13 g/mol
Exact mass
135.0433 Da
logP
0.66Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
3680-71-5
SMILES
Oc1ncnc2[nH]ccc12
InChIKey
FBMZEITWVNHWJW-UHFFFAOYSA-N
InChI
InChI=1S/C6H5N3O/c10-6-4-1-2-7-5(4)8-3-9-6/h1-3H,(H2,7,8,9,10)

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Names and synonyms

9 names
  • 4H-Pyrrolo[2,3-d]pyrimidin-4-one, 3,7-dihydro-
  • 7H-Pyrrolo[2,3-d]pyrimidin-4-ol
  • 4H-Pyrrolo[2,3-d]pyrimidin-4-one, 1,7-dihydro-
  • 3,7-Dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
  • NSC 124164
  • NSC 59251
  • 1H-Pyrrolo[2,3-d]pyrimidin-4-ol
  • 1,7-Dihydropyrrolo[2,3-d]pyrimidin-4-one
  • 1H,4H,7H-Pyrrolo[2,3-d]pyrimidin-4-one

Work with 7-Deazahypoxanthine

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

7-Deazaxanthine39929-79-852 % similar Hypoxanthine68-94-048 % similar 4-Amino-7H-pyrrolo[2,3-d]pyrimidine Hydrogen Sulfate769951-32-847 % similar 4-Iodo-7-azaindole319474-34-547 % similar Quinazolinone491-36-145 % similar 3,6-Dihydro-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one2683-90-142 % similar Allopurinol315-30-042 % similar 4-Bromo-1H-pyrrolo[2,3-b]pyridine348640-06-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3H,4H-Pyrrolo[2,1-f][1,2,4]triazin-4-one159326-71-3 Furo[2,3-d]pyrimidin-4-amine186454-70-6 Hydroxybenzotriazole2592-95-2 4-Hydroxybenzotriazole26725-51-9 Pyrazolo[1,5-a]pyrimidin-5(1H)-one29274-22-4 9-Deazahypoxanthine5655-01-6 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one6969-71-7 3H-Imidazo[4,5-c]pyridin-2-ol7397-68-4

Elsewhere

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