1H-Pyrazolo[3,4-d]pyrimidin-4-amine

C5H5N5CAS 2380-63-4135.13 g/mol

Open in Covalent MOL file
NHNNHNHN

Properties

Molecular formula
C5H5N5
Molar mass
135.13 g/mol
Exact mass
135.0545 Da
Melting point
353–356 °C
logP
-0.28Crippen estimate
Polar surface area
81.2 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2380-63-4
SMILES
N=c1ncnc2[nH][nH]cc1-2
InChIKey
LHCPRYRLDOSKHK-UHFFFAOYSA-N
InChI
InChI=1S/C5H5N5/c6-4-3-1-9-10-5(3)8-2-7-4/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

8 names
  • 1H-Pyrazolo[3,4-d]pyrimidine, 4-amino-
  • 4-Aminopyrazolo[3,4-d]pyrimidine
  • 4-Amino-1H-pyrazolo[3,4-d]pyrimidine
  • 8-Aza-7-deazaadenine
  • 1H-Pyrazolo[3,4-d]pyrimidin-4-ylamine
  • NSC 1393
  • 7-Deaza-8-azaadenine
  • 7-Deaza-8-aza-adenine

Work with 1H-Pyrazolo[3,4-d]pyrimidin-4-amine

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

4-Amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione23771-52-050 % similar 4-Amino-6-hydroxypyrazolo[3,4-d]pyrimidine5472-41-350 % similar 4-Hydroxy-6-mercaptopyrazolo(3,4-d)pyrimidine24521-76-431 % similar Oxipurinol2465-59-031 % 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 2-Aminopurine452-06-2 Adenine73-24-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook