2-undecylpyrazolo[3,4-d]pyrimidin-4-amine

C16H27N5 — CID 11289252

IUPAC2-undecylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCCCCCCCCn1cc2c(N)ncnc2n1
InChIInChI=1S/C16H27N5/c1-2-3-4-5-6-7-8-9-10-11-21-12-14-15(17)18-13-19-16(14)20-21/h12-13H,2-11H2,1H3,(H2,17,18,19,20)
InChIKeyLCDIEXQFDCIFMP-UHFFFAOYSA-N
MW289.43 g/mol
LogP3.94
Rot. Bonds10

About 2-undecylpyrazolo[3,4-d]pyrimidin-4-amine

2-undecylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 11289252) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-undecylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-undecylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID11289252
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name2-undecylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCCCCCCCCn1cc2c(N)ncnc2n1
InChIInChI=1S/C16H27N5/c1-2-3-4-5-6-7-8-9-10-11-21-12-14-15(17)18-13-19-16(14)20-21/h12-13H,2-11H2,1H3,(H2,17,18,19,20)
InChIKeyLCDIEXQFDCIFMP-UHFFFAOYSA-N
XLogP3.94
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-undecylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-undecylpyrazolo[3,4-d]pyrimidin-4-amine (CID 11289252) is 2-undecylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-undecylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-undecylpyrazolo[3,4-d]pyrimidin-4-amine is CCCCCCCCCCCn1cc2c(N)ncnc2n1.
What is the InChIKey of 2-undecylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LCDIEXQFDCIFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-2-3-4-5-6-7-8-9-10-11-21-12-14-15(17)18-13-19-16(14)20-21/h12-13H,2-11H2,1H3,(H2,17,18,19,20).
What are the key properties of 2-undecylpyrazolo[3,4-d]pyrimidin-4-amine?
2-undecylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 289.43 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11289252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).