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

C11H17N5 — CID 11736130

IUPAC2-hexylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCCCn1cc2c(N)ncnc2n1
InChIInChI=1S/C11H17N5/c1-2-3-4-5-6-16-7-9-10(12)13-8-14-11(9)15-16/h7-8H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyFRELPEDGGWWGLR-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.99
Rot. Bonds5

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

2-hexylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 11736130) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-hexylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-hexylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID11736130
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name2-hexylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCCCn1cc2c(N)ncnc2n1
InChIInChI=1S/C11H17N5/c1-2-3-4-5-6-16-7-9-10(12)13-8-14-11(9)15-16/h7-8H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyFRELPEDGGWWGLR-UHFFFAOYSA-N
XLogP1.99
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.99
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-(ethyl(1-methyl-4-(piperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)ethanol
CID 7216404
2-nonyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11149670

Frequently Asked Questions

What is the IUPAC name of 2-hexylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-hexylpyrazolo[3,4-d]pyrimidin-4-amine (CID 11736130) is 2-hexylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-hexylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-hexylpyrazolo[3,4-d]pyrimidin-4-amine is CCCCCCn1cc2c(N)ncnc2n1.
What is the InChIKey of 2-hexylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FRELPEDGGWWGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-2-3-4-5-6-16-7-9-10(12)13-8-14-11(9)15-16/h7-8H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-hexylpyrazolo[3,4-d]pyrimidin-4-amine?
2-hexylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 219.29 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11736130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).