3-Iodo-1H-pyrazolo(3,4-d)pyrimidin-4-amine

C₅H₄IN₅CAS 151266-23-8261.03 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₅H₄IN₅
Molar mass: 261.03 g/mol
Exact mass: 260.9511 Da
logP: 0.54Crippen estimate
Polar surface area: 80.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation63.6% of notifiers
H319 Causes serious eye irritation63.6% of notifiers
H335 May cause respiratory irritation54.5% of notifiers

Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

151266-23-8

SMILES

C1=NC2=NNC(=C2C(=N1)N)I

InChIKey

HQAIUXZORKJOJY-UHFFFAOYSA-N

InChI

InChI=1S/C5H4IN5/c6-3-2-4(7)8-1-9-5(2)11-10-3/h1H,(H3,7,8,9,10,11)

Weigh it out

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

Names and synonyms

1 names

4-Amino-3-iodo-1H-pyrazolo[3,4-D]pyrimidine

Work with 3-Iodo-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

Cgp 57380522629-08-945 % similar 3-Iodo-1H-pyrazolo(3,4-b)pyridine117007-52-037 % similar 3-Bromo-4-chloro-1H-pyrazolo[3,4-D]pyrimidine90914-41-335 % similar 3H-1,2,3-Triazolo(4,5-d)pyrimidin-7-amine1123-54-234 % similar 5-Bromo-3-iodo-1H-pyrazolo[3,4-b]pyridine875781-18-334 % similar Adenine hydrochloride hemihydrate6055-72-733 % similar 7-Methyladenine935-69-333 % similar 5-Fluoroquinazolin-4-amine137553-48-132 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-6-iodopurine19690-23-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook