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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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-undecyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11289252
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
n-Methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221158
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-octyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11242074
1-(1H-Pyrazolo[3,4-d]pyrimidin-4-yl)-piperidin-4-ylamine
CID 11535873

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).