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

C11H9N5 — CID 4879

IUPAC1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1cnn2-c1ccccc1
InChIInChI=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)
InChIKeyKKDPIZPUTYIBFX-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.40
Rot. Bonds1

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

1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 4879) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID4879
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1cnn2-c1ccccc1
InChIInChI=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)
InChIKeyKKDPIZPUTYIBFX-UHFFFAOYSA-N
XLogP1.40
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-phenylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
Decoglurant
CID 71533696
R121919
CID 9821250
1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
Cgp 57380
CID 11644425
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
N,N-Dimethyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-benzene-1,4-diamine
CID 741604
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10249180
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10339710
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096

Frequently Asked Questions

What is the IUPAC name of 1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 4879) is 1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of 1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KKDPIZPUTYIBFX-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of 1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 211.23 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 4879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).