1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)octan-2-ol

C13H21N5O — CID 11196323

IUPAC1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)octan-2-ol
SMILESCCCCCCC(O)Cn1cc2c(N)ncnc2n1
InChIInChI=1S/C13H21N5O/c1-2-3-4-5-6-10(19)7-18-8-11-12(14)15-9-16-13(11)17-18/h8-10,19H,2-7H2,1H3,(H2,14,15,16,17)
InChIKeyJZVBSOGGGSYFFD-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.74
Rot. Bonds7

About 1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)octan-2-ol

1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)octan-2-ol (PubChem CID 11196323) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)octan-2-ol.

Molecular Properties

Compound Name1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)octan-2-ol
PubChem CID11196323
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)octan-2-ol
SMILESCCCCCCC(O)Cn1cc2c(N)ncnc2n1
InChIInChI=1S/C13H21N5O/c1-2-3-4-5-6-10(19)7-18-8-11-12(14)15-9-16-13(11)17-18/h8-10,19H,2-7H2,1H3,(H2,14,15,16,17)
InChIKeyJZVBSOGGGSYFFD-UHFFFAOYSA-N
XLogP1.74
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)octan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)octan-2-ol?
The IUPAC name of 1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)octan-2-ol (CID 11196323) is 1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)octan-2-ol.
What is the SMILES notation for 1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)octan-2-ol?
The canonical SMILES for 1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)octan-2-ol is CCCCCCC(O)Cn1cc2c(N)ncnc2n1.
What is the InChIKey of 1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)octan-2-ol?
The InChIKey is JZVBSOGGGSYFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-2-3-4-5-6-10(19)7-18-8-11-12(14)15-9-16-13(11)17-18/h8-10,19H,2-7H2,1H3,(H2,14,15,16,17).
What are the key properties of 1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)octan-2-ol?
1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)octan-2-ol has a molecular weight of 263.34 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)octan-2-ol is sourced from PubChem (CID 11196323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).