2-Aminopurine

C5H5N5CAS 452-06-2135.13 g/mol

Open in Covalent MOL file
NNH2NNNH
Primary amine

Properties

Molecular formula
C5H5N5
Molar mass
135.13 g/mol
Exact mass
135.0545 Da
Melting point
275–282 °C
logP
-0.06Crippen estimate
Polar surface area
80.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
452-06-2
SMILES
C1=C2C(=NC(=N1)N)N=CN2
InChIKey
MWBWWFOAEOYUST-UHFFFAOYSA-N
InChI
InChI=1S/C5H5N5/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H3,6,7,8,9,10)
Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+
[M + H]+ Calcd for C5H6N5 136.0618
[M + Na]+
[M + Na]+ Calcd for C5H5N5Na 158.0437
[M − H]−
[M − H]− Calcd for C5H4N5 134.0472
Elemental analysis
Anal. Calcd for C5H5N5: C, 44.44; H, 3.73; N, 51.83.

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Names and synonyms

7 names
  • 9H-Purin-2-amine
  • Purine, 2-amino-
  • 1H-Purin-2-amine
  • SQ 22451
  • NSC 24129
  • Isoadenine
  • (9H-Purin-2-yl)amine

Work with 2-Aminopurine

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

2-Chloropurine1681-15-857 % similar 2-Amino-6-iodopurine19690-23-450 % similar 2,6-Diaminopurine1904-98-948 % similar 2-Amino-6-chloropurine10310-21-146 % similar O-(6)-Methylguanine20535-83-542 % similar 5-Chloro-3H-imidazo[4,5-B]pyridine52090-89-841 % similar O6-Benzylguanine19916-73-539 % similar 5-Aminobenzimidazole934-22-537 % 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 Adenine73-24-5

Elsewhere

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