CAS 5334-99-6|1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine|1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine|1-methylpyrazolo[3,4-d]pyrimidin-4-amine|1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine|4-Amin...

General Information

Structure

Molecular Formula

C₆H₇N₅

Molecular Mass

149.15328

Exact Mass

149.07014525

Charge

InChI

InChI=1S/C6H7N5/c1-11-6-4(2-10-11)5(7)8-3-9-6/h2-3H,1H3,(H2,7,8,9)

InChIKey

JBMTUXVKTGBMLE-UHFFFAOYSA-N

Canonic Smiles

Cn1ncc2c1ncnc2N

Isomeric Smiles

c12c(n(nc1)C)ncnc2N

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.5075922

LogD (pH = 7.4)

-0.4440056

Log P

-0.370533

Molar Refractivity

52.9199

Polarizability

15.104536

Polar Surface Area

69.62

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Synonyms

1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine4-Amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidine1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

IUPAC Traditional name

1-methylpyrazolo[3,4-d]pyrimidin-4-amine

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Registration numbers

Properties

Safety Information

MSDS Link

Download link

Storage Warning

IRRITANT

Harmful/Irritant/Keep Cold

TSCA Listed

false

Physical Property

Melting Point

268-270°C

268 - 270 °C

264 - 266°C

Hydrophobicity(logP)

-0.474

Product Information

Purity

>95%

>97%

95%

Classification

Derivatives & analogs of Natural Compounds

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

暂无数据

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC name

1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Synonyms

1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine4-Amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidine1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

IUPAC Traditional name

1-methylpyrazolo[3,4-d]pyrimidin-4-amine

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Properties

Safety Information

MSDS Link

Download link

Storage Warning

IRRITANT

Harmful/Irritant/Keep Cold

TSCA Listed

false

Physical Property

Melting Point

268-270°C

268 - 270 °C

264 - 266°C

Hydrophobicity(logP)

-0.474

Product Information

Purity

>95%

>97%

95%

Classification

Derivatives & analogs of Natural Compounds

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Molecule

ID:44599