2-(4-amino-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol

C12H12N6O — CID 141176999

IUPAC2-(4-amino-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol
SMILESNc1nc(-c2cccnc2)nc2c1cnn2CCO
InChIInChI=1S/C12H12N6O/c13-10-9-7-15-18(4-5-19)12(9)17-11(16-10)8-2-1-3-14-6-8/h1-3,6-7,19H,4-5H2,(H2,13,16,17)
InChIKeyWEUSVHBJEUGIIN-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.46
Rot. Bonds3

About 2-(4-amino-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol

2-(4-amino-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol (PubChem CID 141176999) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-(4-amino-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-amino-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol
PubChem CID141176999
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name2-(4-amino-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol
SMILESNc1nc(-c2cccnc2)nc2c1cnn2CCO
InChIInChI=1S/C12H12N6O/c13-10-9-7-15-18(4-5-19)12(9)17-11(16-10)8-2-1-3-14-6-8/h1-3,6-7,19H,4-5H2,(H2,13,16,17)
InChIKeyWEUSVHBJEUGIIN-UHFFFAOYSA-N
XLogP0.46
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol?
The IUPAC name of 2-(4-amino-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol (CID 141176999) is 2-(4-amino-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol.
What is the SMILES notation for 2-(4-amino-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol?
The canonical SMILES for 2-(4-amino-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol is Nc1nc(-c2cccnc2)nc2c1cnn2CCO.
What is the InChIKey of 2-(4-amino-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol?
The InChIKey is WEUSVHBJEUGIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c13-10-9-7-15-18(4-5-19)12(9)17-11(16-10)8-2-1-3-14-6-8/h1-3,6-7,19H,4-5H2,(H2,13,16,17).
What are the key properties of 2-(4-amino-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol?
2-(4-amino-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol has a molecular weight of 256.27 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol is sourced from PubChem (CID 141176999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).