3-(4-aminophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C11H10N6 — CID 24905259

IUPAC3-(4-aminophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ccc(-c2[nH]nc3ncnc(N)c23)cc1
InChIInChI=1S/C11H10N6/c12-7-3-1-6(2-4-7)9-8-10(13)14-5-15-11(8)17-16-9/h1-5H,12H2,(H3,13,14,15,16,17)
InChIKeyLYIJURYCZAIAPJ-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.18
Rot. Bonds1

About 3-(4-aminophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

3-(4-aminophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905259) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(4-aminophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-aminophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905259
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name3-(4-aminophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ccc(-c2[nH]nc3ncnc(N)c23)cc1
InChIInChI=1S/C11H10N6/c12-7-3-1-6(2-4-7)9-8-10(13)14-5-15-11(8)17-16-9/h1-5H,12H2,(H3,13,14,15,16,17)
InChIKeyLYIJURYCZAIAPJ-UHFFFAOYSA-N
XLogP1.18
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-aminophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 24905259) is 3-(4-aminophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-aminophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-aminophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ccc(-c2[nH]nc3ncnc(N)c23)cc1.
What is the InChIKey of 3-(4-aminophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LYIJURYCZAIAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c12-7-3-1-6(2-4-7)9-8-10(13)14-5-15-11(8)17-16-9/h1-5H,12H2,(H3,13,14,15,16,17).
What are the key properties of 3-(4-aminophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-(4-aminophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 226.24 g/mol, XLogP of 1.18, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).