Chemical substance record

8-aminoguanine

28128-41-8C₅H₆N₆O166.144 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A member of the class of oxopurines that is guanine substituted by an amino group at position 8. It is a naturally occurring purine that has diuretic, natriuretic, glucosuric, antikaliuretic, and antihypertensive activity. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	28128-41-8	ChEBI ↗
Molecular formula	C₅H₆N₆O	ChEBI ↗
Molar mass	166.144 g/mol	ChEBI ↗
Monoisotopic mass	166.06031 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:40802	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	166.14 g/mol	PubChem ↗
Exact mass	166.06030884 Da	PubChem ↗
Computed XLogP	-1.4	PubChem ↗
Topological polar surface area (Å²)	122	PubChem ↗
H-bond donors	4	PubChem ↗
H-bond acceptors	4	PubChem ↗
Rotatable bonds	0	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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Source preferred name

8-aminoguanine

IUPAC name

2,8-diamino-1,9-dihydro-6H-purin-6-one

InChIKey

WYDKPTZGVLTYPG-UHFFFAOYSA-N

SMILES

Nc1nc(=O)c2nc(N)nc2n1

InChI

InChI=1S/C5H6N6O/c6-4-8-1-2(9-4)10-5(7)11-3(1)12/h(H6,6,7,8,9,10,11,12)

Names & synonyms

2,8-diamino-1,9-dihydro-6H-purin-6-one

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

2-aminopurinesChEBI parent class · 20702 ↗8-aminopurinesChEBI parent class · 233444 ↗oxopurineChEBI parent class · 25810 ↗

organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

Rac1 inhibitordiureticantihypertensive agentEC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00601888 mol

Uses 166.144 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

N

Nitrogen · 6 atoms

50.58%

C

Carbon · 5 atoms

36.15%

O

Oxygen · 1 atom

9.63%

H

Hydrogen · 6 atoms

3.64%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

DNA-triplex stabilizing properties of 8-aminoguanine. ↗Nucleic acids research · 2000 Nov 15 · PMID 11071942

Specificity of stimulation of human 8-oxoguanine-DNA glycosylase by AP endonuclease. ↗Biochemical and biophysical research communications · 2008 Mar 28 · PMID 18222119

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:40802

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 135421887 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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