chempirical

6-Chloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine

C10H11ClN4OCAS 7306-68-5238.67 g/mol

Open in Covalent MOL file
ClNNNNO
Aryl halideEther

Properties

Molecular formula
C10H11ClN4O
Molar mass
238.67 g/mol
Exact mass
238.0621 Da
Melting point
69–71 °C
logP
2.18Crippen estimate
Polar surface area
52.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Identifiers

CAS number
7306-68-5
SMILES
Clc1ncnc2c1ncn2C1CCCCO1
InChIKey
QSTASPNCKDPSAH-UHFFFAOYSA-N
InChI
InChI=1S/C10H11ClN4O/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-16-7/h5-7H,1-4H2

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Names and synonyms

6 names
  • 9H-Purine, 6-chloro-9-(tetrahydro-2H-pyran-2-yl)-
  • 9H-Purine, 6-chloro-9-(tetrahydropyran-2-yl)-
  • 6-Chloro-9-(tetrahydropyran-2-yl)purine
  • NSC 33187
  • 6-Chloro-9-(tetrahydropyran-2-yl)-9H-purine
  • 9-(Tetrahydropyran-2-yl)-6-chloropurine

Work with 6-Chloro-9-(tetrahydro-2H-pyran-2-yl)-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

N-(Phenylmethyl)-9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-amine2312-73-460 % similar 6-Chloro-9-ribofuranosyl-9H-purine2004-06-046 % similar 6-Chloropurine riboside5399-87-146 % similar Dideoxyadenosine4097-22-738 % similar Didanosine69655-05-638 % similar 1-(Tetrahydro-2H-pyran-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazole1029684-37-436 % similar Deoxyinosine890-38-034 % similar Deoxyadenosine958-09-834 % similar

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

Elsewhere

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