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

C15H25N5 — CID 11380352

IUPAC2-decylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCCCCCCCn1cc2c(N)ncnc2n1
InChIInChI=1S/C15H25N5/c1-2-3-4-5-6-7-8-9-10-20-11-13-14(16)17-12-18-15(13)19-20/h11-12H,2-10H2,1H3,(H2,16,17,18,19)
InChIKeyOMENAFKETKJPHL-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.55
Rot. Bonds9

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

2-decylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 11380352) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-decylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-decylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID11380352
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name2-decylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCCCCCCCn1cc2c(N)ncnc2n1
InChIInChI=1S/C15H25N5/c1-2-3-4-5-6-7-8-9-10-20-11-13-14(16)17-12-18-15(13)19-20/h11-12H,2-10H2,1H3,(H2,16,17,18,19)
InChIKeyOMENAFKETKJPHL-UHFFFAOYSA-N
XLogP3.55
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.55
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-decylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-decylpyrazolo[3,4-d]pyrimidin-4-amine (CID 11380352) is 2-decylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-decylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-decylpyrazolo[3,4-d]pyrimidin-4-amine is CCCCCCCCCCn1cc2c(N)ncnc2n1.
What is the InChIKey of 2-decylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OMENAFKETKJPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-2-3-4-5-6-7-8-9-10-20-11-13-14(16)17-12-18-15(13)19-20/h11-12H,2-10H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-decylpyrazolo[3,4-d]pyrimidin-4-amine?
2-decylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 275.40 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11380352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).