(2-sulfanylpyrazolo[3,4-d]pyrimidin-4-yl)methanol

C6H6N4OS — CID 67223858

IUPAC(2-sulfanylpyrazolo[3,4-d]pyrimidin-4-yl)methanol
SMILESOCc1ncnc2nn(S)cc12
InChIInChI=1S/C6H6N4OS/c11-2-5-4-1-10(12)9-6(4)8-3-7-5/h1,3,11-12H,2H2
InChIKeyNOCFZRCAMRGRLC-UHFFFAOYSA-N
MW182.21 g/mol
LogP0.01
Rot. Bonds1

About (2-sulfanylpyrazolo[3,4-d]pyrimidin-4-yl)methanol

(2-sulfanylpyrazolo[3,4-d]pyrimidin-4-yl)methanol (PubChem CID 67223858) has the molecular formula C6H6N4OS and a molecular weight of 182.21 g/mol. Its IUPAC name is (2-sulfanylpyrazolo[3,4-d]pyrimidin-4-yl)methanol.

Molecular Properties

Compound Name(2-sulfanylpyrazolo[3,4-d]pyrimidin-4-yl)methanol
PubChem CID67223858
Molecular FormulaC6H6N4OS
Molecular Weight182.21 g/mol
Exact Mass182.03
IUPAC Name(2-sulfanylpyrazolo[3,4-d]pyrimidin-4-yl)methanol
SMILESOCc1ncnc2nn(S)cc12
InChIInChI=1S/C6H6N4OS/c11-2-5-4-1-10(12)9-6(4)8-3-7-5/h1,3,11-12H,2H2
InChIKeyNOCFZRCAMRGRLC-UHFFFAOYSA-N
XLogP0.01
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2-sulfanylpyrazolo[3,4-d]pyrimidin-4-yl)methanol 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 (2-sulfanylpyrazolo[3,4-d]pyrimidin-4-yl)methanol?
The IUPAC name of (2-sulfanylpyrazolo[3,4-d]pyrimidin-4-yl)methanol (CID 67223858) is (2-sulfanylpyrazolo[3,4-d]pyrimidin-4-yl)methanol.
What is the SMILES notation for (2-sulfanylpyrazolo[3,4-d]pyrimidin-4-yl)methanol?
The canonical SMILES for (2-sulfanylpyrazolo[3,4-d]pyrimidin-4-yl)methanol is OCc1ncnc2nn(S)cc12.
What is the InChIKey of (2-sulfanylpyrazolo[3,4-d]pyrimidin-4-yl)methanol?
The InChIKey is NOCFZRCAMRGRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4OS/c11-2-5-4-1-10(12)9-6(4)8-3-7-5/h1,3,11-12H,2H2.
What are the key properties of (2-sulfanylpyrazolo[3,4-d]pyrimidin-4-yl)methanol?
(2-sulfanylpyrazolo[3,4-d]pyrimidin-4-yl)methanol has a molecular weight of 182.21 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-sulfanylpyrazolo[3,4-d]pyrimidin-4-yl)methanol is sourced from PubChem (CID 67223858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).