2-Amino-6-iodopurine

C₅H₄IN₅CAS 19690-23-4261.03 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

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

Identifiers

CAS number

19690-23-4

SMILES

C1=NC2=C(N1)C(=NC(=N2)N)I

InChIKey

CQYPNVKLVHHOSJ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-Amino-6-iodopurine

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

4,5-Diiodo-1H-imidazole15813-09-936 % similar 5,7-Dichloro-1H-imidazo[4,5-b]pyridine24485-01-636 % similar 6-Chloro-2-fluoropurine1651-29-235 % similar Adenine hydrochloride hemihydrate6055-72-733 % similar 2-Chloropurine1681-15-832 % similar 7-Chloro-1H-imidazo(4,5-b)pyridine6980-11-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Iodo-1H-pyrazolo(3,4-d)pyrimidin-4-amine151266-23-8

Elsewhere

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