chempirical

6-Benzyloxypurine

C12H10N4OCAS 57500-07-9226.24 g/mol

Open in Covalent MOL file
ONNHNN
Ether

Properties

Molecular formula
C12H10N4O
Molar mass
226.24 g/mol
Exact mass
226.0855 Da
logP
1.93Crippen estimate
Polar surface area
63.7 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Hazards

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

Identifiers

CAS number
57500-07-9
SMILES
C1=CC=C(C=C1)COC2=NC=NC3=C2NC=N3
InChIKey
ZZZXGPGVDJDFCJ-UHFFFAOYSA-N
InChI
InChI=1S/C12H10N4O/c1-2-4-9(5-3-1)6-17-12-10-11(14-7-13-10)15-8-16-12/h1-5,7-8H,6H2,(H,13,14,15,16)

Weigh it out

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

Work with 6-Benzyloxypurine

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-Benzylaminopurine hydrochloride162714-86-550 % similar O6-Benzylguanine19916-73-545 % similar 6-Benzamidopurine4005-49-641 % similar 2,4-Bis(benzyloxy)pyrimidine-5-boronic acid70523-24-939 % similar Hydroquinone dibenzyl ether621-91-038 % similar 7-(Benzyloxy)-1H-indole20289-27-437 % similar 6-Benzylaminopurine1214-39-736 % similar 7-Benzyloxy-6-methoxy-3H-quinazolin-4-one179688-01-836 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook