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

C₅H₅N₅CAS 2380-63-4135.13 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 0

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 1,5,6,7-Tetrahydro-6-thioxo-4H-pyrazolo[3,4-D]pyrimidin-4-one24521-76-431 % 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