N6-Methyladenosine

C11H15N5O4CAS 1867-73-8281.27 g/mol

Open in Covalent MOL file
HNNNNNOOHOHHO
AlcoholEtherSecondary amine

Properties

Molecular formula
C11H15N5O4
Molar mass
281.27 g/mol
Exact mass
281.1124 Da
Melting point
172 °C
logP
-1.52Crippen estimate
Polar surface area
125.5 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
3
Stereocentres
R, R, S, Rin SMILES atom order

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
1867-73-8
SMILES
CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey
VQAYFKKCNSOZKM-IOSLPCCCSA-N
InChI
InChI=1S/C11H15N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11,17-19H,2H2,1H3,(H,12,13,14)/t5-,7-,8-,11-/m1/s1

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Names and synonyms

10 names
  • Adenosine, N-methyl-
  • N-Methyladenosine
  • 6-Methyladenosine
  • 6-Methylaminopurine riboside
  • 6-Methylamino-9-β-D-ribofuranosylpurine
  • 6-Methylaminopurine ribonucleoside
  • NSC 29409
  • 6-Methylaminopurine D-riboside
  • 9-β-D-Ribofuranosyl-N6-methylaminopurine
  • 2-(Hydroxymethyl)-5-(6-methylaminopurin-9-yl)oxolane-3,4-diol

Work with 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

6-Methylpurine riboside14675-48-071 % similar Vidarabine5536-17-469 % similar Adenosine58-61-769 % similar Inosine58-63-969 % similar Benzyladenosine4294-16-068 % similar Zeatin riboside6025-53-268 % similar 6-Chloro-9-ribofuranosyl-9H-purine2004-06-067 % similar 6-Chloropurine riboside5399-87-167 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3′-O-Methyladenosine10300-22-8 2'-C-Methyladenosine15397-12-3 1-Methyladenosine15763-06-1 2′-O-Methyladenosine2140-79-6

Elsewhere

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