chempirical

2′-Deoxy-N6-methyladenosine

C11H15N5O3CAS 2002-35-9265.27 g/mol

Open in Covalent MOL file
HNNNNNOHHOO
AlcoholEtherSecondary amine

Properties

Molecular formula
C11H15N5O3
Molar mass
265.27 g/mol
Exact mass
265.1175 Da
logP
-0.49Crippen estimate
Polar surface area
105.3 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
3
Stereocentres
R, S, Rin SMILES atom order

Identifiers

CAS number
2002-35-9
SMILES
CNc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1
InChIKey
DYSDOYRQWBDGQQ-XLPZGREQSA-N
InChI
InChI=1S/C11H15N5O3/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(18)7(3-17)19-8/h4-8,17-18H,2-3H2,1H3,(H,12,13,14)/t6-,7+,8+/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • Adenosine, 2′-deoxy-N-methyl-
  • 2′-Deoxy-N-methyladenosine
  • 6-(Methylamino)purine deoxyriboside
  • N6-Methyl-2′-deoxyadenosine
  • N6-Methyldeoxyadenosine

Work with 2′-Deoxy-N6-methyladenosine

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

Deoxyinosine890-38-069 % similar Deoxyadenosine958-09-869 % similar N6-Methyladenosine1867-73-865 % similar N-Benzoyl-2′-deoxyadenosine4546-72-957 % similar Cladribine4291-63-854 % similar 2-Amino-2′-deoxyadenosine4546-70-751 % similar 5-Aza-2′-deoxycytidine2353-33-548 % similar Deoxyadenosine monophosphate653-63-448 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook