chempirical

O6-Benzylguanine

C12H11N5OCAS 19916-73-5241.25 g/mol

Open in Covalent MOL file
NHNONNHNH
Ether

Properties

Molecular formula
C12H11N5O
Molar mass
241.25 g/mol
Exact mass
241.0964 Da
Melting point
202–205 °C
logP
1.34Crippen estimate
Polar surface area
90.4 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
3

Identifiers

CAS number
19916-73-5
SMILES
N=c1nc(OCc2ccccc2)c2nc[nH]c2[nH]1
InChIKey
KRWMERLEINMZFT-UHFFFAOYSA-N
InChI
InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)

Weigh it out

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

Names and synonyms

10 names
  • 9H-Purin-2-amine, 6-(phenylmethoxy)-
  • Purine, 2-amino-6-(benzyloxy)-
  • 1H-Purin-2-amine, 6-(phenylmethoxy)-
  • 6-(Phenylmethoxy)-9H-purin-2-amine
  • 2-Amino-6-(benzyloxy)purine
  • 6-(Benzyloxy)guanine
  • 2-Amino-6-(phenylmethoxy)-9H-purine
  • 6-O-Benzylguanine
  • NSC 637037
  • Benzylguanine

Work with O6-Benzylguanine

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

6-O-Methylguanine20535-83-557 % similar Lomeguatrib192441-08-057 % similar Thioguanine154-42-747 % similar Guanine73-40-547 % similar Guanine hydrochloride635-39-244 % similar Guanine sulfate10333-92-340 % similar Hydroquinone dibenzyl ether621-91-033 % similar 2-Amino-3-benzyloxypyridine24016-03-331 % similar

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

Elsewhere

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