chempirical

Adenine

C5H5N5CAS 73-24-5135.13 g/mol

Open in Covalent MOL file
NH2NNHNN
Primary amine

Properties

Molecular formula
C5H5N5
Molar mass
135.13 g/mol
Exact mass
135.0545 Da
Melting point
360 °C (decomposes)
logP
-0.11Crippen estimate
Polar surface area
80.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Identifiers

CAS number
73-24-5
SMILES
Nc1nc[nH]c2ncnc1-2
InChIKey
GFFGJBXGBJISGV-UHFFFAOYSA-N
InChI
InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)

Weigh it out

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

Names and synonyms

17 names · show all
  • 9H-Purin-6-amine
  • 1H-Purin-6-amine
  • 6-Aminopurine
  • Vitamin B4
  • Adeninimine
  • 6-Amino-1H-purine
  • 6-Amino-3H-purine
  • 6-Amino-9H-purine
  • 1,6-Dihydro-6-iminopurine
  • Leuco 4
  • 3,6-Dihydro-6-iminopurine
  • Pedatisectine B
  • NSC 14666
  • 9H-Adenine
  • 3H-Purin-6-amine
  • 7H-Purin-6-amine
  • (9H-Purin-6-yl)amine

Work with Adenine

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

Adenine hydrochloride2922-28-388 % similar Adenine sulfate321-30-272 % similar Adenine phosphate52175-10-772 % similar 6-Bromo-9H-purine767-69-153 % similar 6-Chloropurine87-42-353 % similar 2-Chloroadenine1839-18-548 % similar 7-Deazaadenine1500-85-248 % similar Isoguanine3373-53-347 % similar

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

Same formula

4H-Pyrazolo[3,4-D]pyrimidin-4-amine20289-44-5 1H-Pyrazolo[3,4-D]pyrimidin-4-amine2380-63-4 2-Aminopurine452-06-2

Elsewhere

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