CAS 5334-30-5|4-AMINO-1-PHENYLPYRAZOLO-(3,4-D)PYRIMIDINE|1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine|1-phenylpyrazolo[3,4-d]pyrimidin-4-amine|4-Amino-1-phenylpyrazolo[3,4-d]pyrimidine|NSC 1401|4-氨...

General Information

Structure

Molecular Formula

C₁₁H₉N₅

Molecular Mass

211.22266

Exact Mass

211.08579531

Charge

InChI

InChI=1S/C11H9N5/c12-10-9-6-15-16(11(9)14-7-13-10)8-4-2-1-3-5-8/h1-7H,(H2,12,13,14)

InChIKey

KKDPIZPUTYIBFX-UHFFFAOYSA-N

Canonic Smiles

Nc1ncnc2c1cnn2c1ccccc1

Isomeric Smiles

n1cnc(c2c1n(c1ccccc1)nc2)N

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.29866534

LogD (pH = 7.4)

1.2377917

Log P

1.2874255

Molar Refractivity

62.3782

Polarizability

23.603474

Polar Surface Area

69.62

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

4-AMINO-1-PHENYLPYRAZOLO-(3,4-D)PYRIMIDINE4-Amino-1-phenylpyrazolo[3,4-d]pyrimidineNSC 14014-氨基-1-苯基吡唑[ 3,4-d]嘧啶4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

IUPAC name

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

IUPAC Traditional name

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

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

MDL Number

CAS Number

Beilstein Number

Registration numbers

Properties

Safety Information

Product Information

Certificate of Analysis

Download link

Purity

tech. 85%

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Apollo Scientific

OR2650T

Chemiluminescent with antifilarial & affinity for the adenosine receptor.

TRC

A626500

Intermediate in the preparation of various enzymatic inhibitors

Molecule Details

References

PubChem Literature

From Data Sources

• Wigle, T., et al.: Bioorg. Med. Chem. Lett., 17, 3249 (2006)

• Poeckel, D., et al.: Mol. Pharmacol., 70, 1071 (2006)

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

IUPAC name

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

IUPAC Traditional name

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

Registration numbers

PubChem SID

PubChem CID

MDL Number

CAS Number

Beilstein Number

Properties

Safety Information

Product Information

Certificate of Analysis

Download link

Purity

tech. 85%

Molecule Details

Apollo Scientific

OR2650T

Chemiluminescent with antifilarial & affinity for the adenosine receptor.

TRC

A626500

Intermediate in the preparation of various enzymatic inhibitors

References

PubChem Literature

From Data Sources

• Wigle, T., et al.: Bioorg. Med. Chem. Lett., 17, 3249 (2006)

• Poeckel, D., et al.: Mol. Pharmacol., 70, 1071 (2006)

Bioactivity

PubChem BioAssay

Molecule

ID:83695