6-phenyl-1-prop-2-ynylpyrazolo[3,4-d]pyrimidin-4-amine

C14H11N5 — CID 110171281

IUPAC6-phenyl-1-prop-2-ynylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESC#CCn1ncc2c(N)nc(-c3ccccc3)nc21
InChIInChI=1S/C14H11N5/c1-2-8-19-14-11(9-16-19)12(15)17-13(18-14)10-6-4-3-5-7-10/h1,3-7,9H,8H2,(H2,15,17,18)
InChIKeyYKUQUPUYOXTVCR-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.71
Rot. Bonds2

About 6-phenyl-1-prop-2-ynylpyrazolo[3,4-d]pyrimidin-4-amine

6-phenyl-1-prop-2-ynylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 110171281) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 6-phenyl-1-prop-2-ynylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-phenyl-1-prop-2-ynylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID110171281
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name6-phenyl-1-prop-2-ynylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESC#CCn1ncc2c(N)nc(-c3ccccc3)nc21
InChIInChI=1S/C14H11N5/c1-2-8-19-14-11(9-16-19)12(15)17-13(18-14)10-6-4-3-5-7-10/h1,3-7,9H,8H2,(H2,15,17,18)
InChIKeyYKUQUPUYOXTVCR-UHFFFAOYSA-N
XLogP1.71
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-phenyl-1-prop-2-ynylpyrazolo[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

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1-prop-2-ynylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-phenyl-1-prop-2-ynylpyrazolo[3,4-d]pyrimidin-4-amine (CID 110171281) is 6-phenyl-1-prop-2-ynylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-phenyl-1-prop-2-ynylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-phenyl-1-prop-2-ynylpyrazolo[3,4-d]pyrimidin-4-amine is C#CCn1ncc2c(N)nc(-c3ccccc3)nc21.
What is the InChIKey of 6-phenyl-1-prop-2-ynylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YKUQUPUYOXTVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-2-8-19-14-11(9-16-19)12(15)17-13(18-14)10-6-4-3-5-7-10/h1,3-7,9H,8H2,(H2,15,17,18).
What are the key properties of 6-phenyl-1-prop-2-ynylpyrazolo[3,4-d]pyrimidin-4-amine?
6-phenyl-1-prop-2-ynylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 249.28 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1-prop-2-ynylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110171281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).