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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Related Compounds

1H-Pyrazolo[3,4-d]pyrimidin-4-amine
CID 75420
1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 94753
5-Ethyl-8-methyl-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 72705092
2-decyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11380352
N,N-Dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221159
1-(4-Aminopyrazolo[3,4-d]pyrimidin-2-yl)octan-2-ol
CID 11196323
1-((R)-4-Amino-pyrazolo[3,4-d]pyrimidin-2-yl)-decan-2-ol
CID 11289317
(2R)-1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)decan-2-ol
CID 11403576
2-nonyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11149670
2-octyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11242074
1-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-butylurea hydrochloride
CID 71222835
N-(1-(4-(azepan-1-yl)butyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide maleate
CID 71223161

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).