CAS 2004-03-7|6-methylpurine|6-methyl-7H-purine|6-Methylpurine|MeP|6-Methylpurine|6-methyl-1H-purine|6-methyl-9H-purine|6-methyl-9H-purine|NSC 407198|6-methylpurine|6-Methyl-1H-purine|6-methyl-7H-pu...

General Information

Structure

Molecular Formula

C₆H₆N₄

Molecular Mass

134.13864

Exact Mass

134.05924621

Charge

InChI

InChI=1S/C6H6N4/c1-4-5-6(9-2-7-4)10-3-8-5/h2-3H,1H3,(H,7,8,9,10)

InChIKey

SYMHUEFSSMBHJA-UHFFFAOYSA-N

Canonic Smiles

Cc1ncnc2c1[nH]cn2

Isomeric Smiles

[nH]1c2c(ncnc2nc1)C

Calculated Properties

JChem

LogD (pH = 7.4)

-0.17

LogD (pH = 5.5)

-0.20

Log P

-0.17

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

4.38

Polar Surface Area

54.46

Polarizability

13.06

Molar Refractivity

36.18

LOG S

-1.53

Data Source

Names and Identifiers

IUPAC name

6-methyl-7H-purine 6-methyl-9H-purine

Synonyms

6-MethylpurineMeP6-MethylpurineNSC 4071986-methylpurine6-Methyl-1H-purine6-methyl-7H-purine

IUPAC Traditional name

6-methylpurine 6-methyl-1H-purine 6-methyl-9H-purine

Names and Identifiers

Registration numbers

PubChem SID

2489701316096532946506443126522667

MDL Number

EC Number

CAS Number

PubChem CID

PubMed Citation Links

14253484

BRENDA Database

2.4.2.281.2.3.12.4.2.62.4.2.7

CompTox Database

DTXSID6073283

MetaboLights Database

MTBLS804

BindingDB Database

92423

CHEBI ID

CHEBI:63089CHEBI:40274

Reaxys Registry

Protein Data Bank

SureChEMBL Database

SABIO-RK Database

CHEMBL

DrugBank ID

ACToR Database

Registration numbers

Properties

Related Proteins

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

DrugBank

DB02113

Drug information: experimental

MP Biomedicals

05216172

MP Biomedicals Rare Chemical collection

Sigma Aldrich

M6502

Application
6-Methylpurine (MeP) is a toxic adenine analog used as a bisubstrate inhibitor of enzymes that bind adenosyl moieties and which may become phosphorylated to levels that inhibit RNA and protein synthesis.

ChEBI

CHEBI:40274

Purine bearing a methyl substituent at position 6.

Molecule Details

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC name

6-methyl-7H-purine 6-methyl-9H-purine

Synonyms

6-MethylpurineMeP6-MethylpurineNSC 4071986-methylpurine6-Methyl-1H-purine6-methyl-7H-purine

IUPAC Traditional name

6-methylpurine 6-methyl-1H-purine 6-methyl-9H-purine

Registration numbers

PubChem SID

2489701316096532946506443126522667

MDL Number

EC Number

CAS Number

PubChem CID

PubMed Citation Links

14253484

BRENDA Database

2.4.2.281.2.3.12.4.2.62.4.2.7

CompTox Database

DTXSID6073283

MetaboLights Database

MTBLS804

BindingDB Database

92423

CHEBI ID

CHEBI:63089CHEBI:40274

Reaxys Registry

Protein Data Bank

SureChEMBL Database

SABIO-RK Database

CHEMBL

DrugBank ID

ACToR Database

Molecule Details

DB02113

Drug information: experimental

MP Biomedicals

05216172

MP Biomedicals Rare Chemical collection

Sigma Aldrich

M6502

ChEBI

CHEBI:40274

Purine bearing a methyl substituent at position 6.

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Properties

Molecule

ID:1874