2-ethyl-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-3-one

C8H10N4OS — CID 67170418

IUPAC2-ethyl-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-3-one
SMILESCCn1[nH]c2nc(SC)ncc2c1=O
InChIInChI=1S/C8H10N4OS/c1-3-12-7(13)5-4-9-8(14-2)10-6(5)11-12/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyJBHPOUKJDKEXBY-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.86
Rot. Bonds2

About 2-ethyl-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-3-one

2-ethyl-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 67170418) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 2-ethyl-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

Compound Name2-ethyl-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-3-one
PubChem CID67170418
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name2-ethyl-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-3-one
SMILESCCn1[nH]c2nc(SC)ncc2c1=O
InChIInChI=1S/C8H10N4OS/c1-3-12-7(13)5-4-9-8(14-2)10-6(5)11-12/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyJBHPOUKJDKEXBY-UHFFFAOYSA-N
XLogP0.86
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

Analyze 2-ethyl-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-3-one 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-ethyl-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-3-one?
The IUPAC name of 2-ethyl-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-3-one (CID 67170418) is 2-ethyl-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-3-one.
What is the SMILES notation for 2-ethyl-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-3-one?
The canonical SMILES for 2-ethyl-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-3-one is CCn1[nH]c2nc(SC)ncc2c1=O.
What is the InChIKey of 2-ethyl-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-3-one?
The InChIKey is JBHPOUKJDKEXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-3-12-7(13)5-4-9-8(14-2)10-6(5)11-12/h4H,3H2,1-2H3,(H,9,10,11).
What are the key properties of 2-ethyl-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-3-one?
2-ethyl-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 210.26 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 67170418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).