chempirical

2-Aminopurine

C5H5N5CAS 452-06-2135.13 g/mol

Open in Covalent MOL file
HNHNNNHN
Primary amine

Properties

Molecular formula
C5H5N5
Molar mass
135.13 g/mol
Exact mass
135.0545 Da
Melting point
275–282 °C
logP
-0.28Crippen estimate
Polar surface area
81.2 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
452-06-2
SMILES
N=c1[nH]cc2ncnc-2[nH]1
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)

Weigh it out

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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

2,4-Diaminopyrimidine156-81-043 % similar 2-Amino-6-chloropurine10310-21-143 % similar 2,6-Diaminopurine1904-98-943 % similar 1,3,5-Triazine-2,4-diamine504-08-539 % similar 2-Aminoimidazole7720-39-033 % 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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