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

C14H23N5 — CID 11149670

IUPAC2-nonylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCCCCCCn1cc2c(N)ncnc2n1
InChIInChI=1S/C14H23N5/c1-2-3-4-5-6-7-8-9-19-10-12-13(15)16-11-17-14(12)18-19/h10-11H,2-9H2,1H3,(H2,15,16,17,18)
InChIKeyJSEZJCXBVBSVHE-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.16
Rot. Bonds8

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

2-nonylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 11149670) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-nonylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-nonylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID11149670
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-nonylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCCCCCCn1cc2c(N)ncnc2n1
InChIInChI=1S/C14H23N5/c1-2-3-4-5-6-7-8-9-19-10-12-13(15)16-11-17-14(12)18-19/h10-11H,2-9H2,1H3,(H2,15,16,17,18)
InChIKeyJSEZJCXBVBSVHE-UHFFFAOYSA-N
XLogP3.16
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.16
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-nonylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-nonylpyrazolo[3,4-d]pyrimidin-4-amine (CID 11149670) is 2-nonylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-nonylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-nonylpyrazolo[3,4-d]pyrimidin-4-amine is CCCCCCCCCn1cc2c(N)ncnc2n1.
What is the InChIKey of 2-nonylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JSEZJCXBVBSVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-2-3-4-5-6-7-8-9-19-10-12-13(15)16-11-17-14(12)18-19/h10-11H,2-9H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-nonylpyrazolo[3,4-d]pyrimidin-4-amine?
2-nonylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 261.37 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11149670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).