chempirical

N6-Dimethyladenosine

C12H17N5O4CAS 2620-62-4295.30 g/mol

Open in Covalent MOL file
NNNNNOOHOHHO
AlcoholEtherTertiary amine

Properties

Molecular formula
C12H17N5O4
Molar mass
295.30 g/mol
Exact mass
295.1281 Da
Melting point
183–184 °C
logP
-1.50Crippen estimate
Polar surface area
116.8 Ų
H-bond donors / acceptors
3 / 8
Rotatable bonds
3
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
2620-62-4
SMILES
CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey
WVGPGNPCZPYCLK-WOUKDFQISA-N
InChI
InChI=1S/C12H17N5O4/c1-16(2)10-7-11(14-4-13-10)17(5-15-7)12-9(20)8(19)6(3-18)21-12/h4-6,8-9,12,18-20H,3H2,1-2H3/t6-,8-,9-,12-/m1/s1

Weigh it out

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

Names and synonyms

7 names
  • Adenosine, N,N-dimethyl-
  • N,N-Dimethyladenosine
  • 6-(Dimethylamino)purine riboside
  • 6-(Dimethylamino)purine ribonucleoside
  • 6-Dimethylaminopurine D-riboside
  • 6-Dimethylamino-9-(β-D-ribofuranosyl)purine
  • N6,N6-Dimethyladenosine

Work with N6-Dimethyladenosine

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

Aminonucleoside58-60-681 % similar Vidarabine5536-17-469 % similar Adenosine58-61-769 % similar Inosine58-63-969 % similar 6-Chloro-9-ribofuranosyl-9H-purine2004-06-067 % similar 6-Chloropurine riboside5399-87-167 % similar N6-Methyladenosine1867-73-867 % similar N2,N2-Dimethylguanosine2140-67-263 % similar

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

Same formula

Entecavir monohydrate209216-23-9

Elsewhere

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