Home/Chemicals/73-24-5

Chemical substance record

Adenine

73-24-5C₅H₅N₅135.13 g/mol

Organic/Inorganic Small MoleculeChEBI source record

The parent compound of the 6-aminopurines, composed of a purine having an amino group at C-6. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values

CAS number	73-24-5	ChEBI ↗
Molecular formula	C₅H₅N₅	ChEBI ↗
Molar mass	135.13 g/mol	ChEBI ↗
Monoisotopic mass	135.0545 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:16708	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	135.13 g/mol	PubChem ↗
Exact mass	135.05449518 Da	PubChem ↗
Computed XLogP	-0.1	PubChem ↗
Topological polar surface area (Å²)	80.5	PubChem ↗
H-bond donors	2	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

adenine

IUPAC name

9H-purin-6-amine

InChIKey

GFFGJBXGBJISGV-UHFFFAOYSA-N

SMILES

Nc1ncnc2ncnc12

InChI

InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)

Names & synonyms

9H-purin-6-amine

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

Classification & relationships

ChEBI ontology

6-aminopurinesChEBI parent class · 20706 ↗purine nucleobaseChEBI parent class · 26386 ↗

organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

mouse metaboliteSaccharomyces cerevisiae metaboliteEscherichia coli metabolitehuman metaboliteDaphnia magna metabolite

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

0.00740028 mol

Uses 135.13 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 · 5 atoms

51.83%

C

Carbon · 5 atoms

44.44%

H

Hydrogen · 5 atoms

3.73%

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

Soluble guanylate cyclase is allosterically inhibited by direct interaction with 2-substituted adenine nucleotides. ↗European journal of biochemistry · 2002 Apr · PMID 11985597

Chemical diagnosis of Lesch-Nyhan syndrome using gas chromatography-mass spectrometry detection. ↗Journal of chromatography. B, Analytical technologies in the biomedical and life sciences · 2003 Jul 15 · PMID 12829005

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:16708

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

Additional molecular descriptorsNCBI PubChem · CID 190 · 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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