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

• ChemBase ID: 102416
• Molecular Formular: C7H9N5
• Molecular Mass: 163.17986
• Monoisotopic Mass: 163.08579531
• SMILES: CN(C)c1ncnc2c1[nH]cn2
• Canonical SMILES: CN(c1ncnc2c1[nH]cn2)C
• 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

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-7H-purin-6-amine
• IUPAC Traditional name: 6-(dimethylamino)-purine
• Synonyms: N^6 ,N^6-Dimethyladenine; 6-DIMETHYLAMINOPURINE; 6-DMAP; 6-(Dimethylamino)purine; N6,N6-Dimethyladenine; N,N-dimethyl-7H-purin-6-amine; N6,N6-二甲腺嘌呤; 6-(二甲氨基)嘌呤

Database IDs

• CAS Number: 938-55-6
• EC Number: 213-344-3
• MDL Number: MFCD00005573
• Beilstein Number: 7634
• PubChem SID: 24893701; 162089595
• PubChem CID: 3134

CALCULATED PROPERTIES

• Acid pKa: 10.185409
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.21238309
• LogD (pH = 7.4): 0.36058158
• Log P: 0.36349958
• Molar Refractivity: 47.9477 cm^3
• Polarizability: 17.030817 Å^3
• Polar Surface Area: 57.7 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 256 - 258°C; 259-262 °C(lit.); 262-264°C
• Hydrophobicity(logP): 0.69

Safety Information

• Storage Condition: 0°C
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥98%; ≥98%; 95%; 98%
• Empirical Formula (Hill Notation): C7H9N5

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.

REFERENCES

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