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

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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).