CAS 938-55-6|N,N-dimethyl-7H-purin-6-amine|N<sup>6</sup> ,N<sup>6</sup>-Dimethyladenine|6-(dimethylamino)-purine|6-DIMETHYLAMINOPURINE|6-(Dimethylamino)purine|6-(二甲氨基)嘌呤|N6,N6-二甲腺嘌呤|6-DMA...

General Information

Structure

Molecular Formula

C₇H₉N₅

Molecular Mass

163.17986

Exact Mass

163.08579531

Charge

InChI

InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)

InChIKey

BVIAOQMSVZHOJM-UHFFFAOYSA-N

Canonic Smiles

CN(c1ncnc2c1[nH]cn2)C

Isomeric Smiles

CN(C)c1ncnc2c1[nH]cn2

Calculated Properties

JChem

LogD (pH = 7.4)

0.40

LogD (pH = 5.5)

0.27

Log P

0.41

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

5.05

Polar Surface Area

57.70

Polarizability

16.43

Molar Refractivity

46.33

LOG S

-1.81

Data Source

Names and Identifiers

IUPAC name

N,N-dimethyl-7H-purin-6-amine N,N-dimethyl-9H-purin-6-amine

Synonyms

N⁶ ,N⁶-Dimethyladenine6-DIMETHYLAMINOPURINE6-(Dimethylamino)purine6-(二甲氨基)嘌呤N6,N6-二甲腺嘌呤6-DMAPN6,N6-DimethyladenineN,N-dimethyl-7H-purin-6-amine6-DimethyladenineN(6)-dimethyladenineN,N-Dimethyl-6-aminopurineN(6),N(6)-Dimethyladenine6-(Dimethylamino)purineN(6),N(6)-dimethyladenineN,N-dimethyl-1H-purin-6-amine6-DimethylaminopurineN,N-Dimethyladenine

IUPAC Traditional name

6-(dimethylamino)-purine 6-dimethylaminopurine

Names and Identifiers

Registration numbers

EC Number

213-344-3

CAS Number

938-55-6

PubChem CID

3134

PubChem SID

1620895952489370199364978

Beilstein Number

7634611068

MDL Number

MFCD00005573

BRENDA Database

2.7.11.222.4.1.132.7.10.23.5.4.22.7.11.132.5.1.62.7.12.12.4.2.62.7.10.1

PubMed Citation Links

121126041956965525730023238583323854

UniProt Database

Q12502

CHEBI ID

CHEBI:60281

MetaboLights Database

MTBLS2074MTBLS2406MTBLS2105MTBLS867MTBLS2145

SureChEMBL Database

Protein Data Bank

BindingDB Database

ACToR Database

CHEMBL

CompTox Database

Registration numbers

Properties

Safety Information

MSDS Link

Download link

Storage Condition

0°C

Personal Protective Equipment

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

German water hazard class

-20°C

Physical Property

262-264°C

259-262 °C(lit.)

256 - 258°C

0.69

Properties

Related Proteins

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

MP Biomedicals

02101593

Crystalline
Purity: >98%
Protein kinase inhibitor.

Sigma Aldrich

D2629

Application
6-(Dimethylamino)purine (6-DMAP) is a protein kinase and cyclin-dependent kinase inhibitor used in parthenogenesis and meiosis studies.
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. D2629.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

ChEBI

CHEBI:60281

A tertiary amine that is adenine substituted at N-6 by geminal methyl groups.

Molecule Details

References

PubChem Literature

From Data Sources

• Szollosi, M.S., et al., Jour. of Cell Sci. , 37(23) : 3886-3888 (1993).

References

Bioactivity

PubChem BioAssay

Bioactivity