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6-Dmap

C7H9N5CAS 938-55-6163.18 g/mol

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NNNNHN
Tertiary amine

Properties

Molecular formula
C7H9N5
Molar mass
163.18 g/mol
Exact mass
163.0858 Da
Melting point
251–253 °C (decomposes)
logP
0.42Crippen estimate
Polar surface area
57.7 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
938-55-6
SMILES
CN(C)c1ncnc2[nH]cnc12
InChIKey
BVIAOQMSVZHOJM-UHFFFAOYSA-N
InChI
InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)

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Names and synonyms

14 names · show all
  • 9H-Purin-6-amine, N,N-dimethyl-
  • Adenine, N,N-dimethyl-
  • 1H-Purin-6-amine, N,N-dimethyl-
  • Purine, 6-(dimethylamino)-
  • Adenine, N6,N6-dimethyl-
  • N,N-Dimethyl-9H-purin-6-amine
  • N,N-Dimethyladenine
  • 6,6-Dimethyladenine
  • Dimethyladenine
  • 6-(Dimethylamino)purine
  • N,N-Dimethyl-6-aminopurine
  • N6,N6-Dimethyladenine
  • NSC 401568
  • DMAP

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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-Methoxy-9H-purine1074-89-149 % similar 6-Methylmercaptopurine50-66-849 % similar 6-Mercaptopurine50-44-248 % similar Hypoxanthine68-94-048 % similar 6-Hydrazinyl-9H-purine5404-86-446 % similar 6-Mercaptopurine monohydrate6112-76-144 % similar Purine120-73-034 % similar Azathioprine446-86-631 % similar

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

Elsewhere

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