6-Methoxy-9H-purine

C6H6N4OCAS 1074-89-1150.14 g/mol

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ONNNHN
Ether

Properties

Molecular formula
C6H6N4O
Molar mass
150.14 g/mol
Exact mass
150.0542 Da
Melting point
195–196 °C
logP
0.36Crippen estimate
Polar surface area
63.7 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

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
1074-89-1
SMILES
COc1ncnc2[nH]cnc12
InChIKey
GOILPRCCOREWQE-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N4O/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)

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Names and synonyms

7 names
  • 9H-Purine, 6-methoxy-
  • Purine, 6-methoxy-
  • 1H-Purine, 6-methoxy-
  • 6-Methoxypurine
  • O-Methylhypoxanthine
  • O6-Methylhypoxanthine
  • NSC 23723

Work with 6-Methoxy-9H-purine

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

Hypoxanthine68-94-053 % similar 6-Methylmercaptopurine50-66-849 % similar 6-Dimethylaminopurine938-55-649 % similar 6-Mercaptopurine50-44-248 % similar 6-Hydrazinyl-9H-purine5404-86-446 % similar 6-Mercaptopurine monohydrate6112-76-144 % similar O-(6)-Methylguanine20535-83-543 % similar 5,6-Dimethoxypyrimidin-4-amine5018-45-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Hydroxy-6-methyl-1,3,3a,7-tetraazaindene2503-56-2 9-Deazaguanine65996-58-9 7-Deazaguanine7355-55-7

Elsewhere

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