2-ethyl-6-methylsulfanyl-1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-3-one

C13H13N5OS — CID 138523015

IUPAC2-ethyl-6-methylsulfanyl-1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-3-one
SMILESCCn1c(=O)c2cnc(SC)nc2n1-c1ccccn1
InChIInChI=1S/C13H13N5OS/c1-3-17-12(19)9-8-15-13(20-2)16-11(9)18(17)10-6-4-5-7-14-10/h4-8H,3H2,1-2H3
InChIKeyJDZSGTBQTWPQIW-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.72
Rot. Bonds3

About 2-ethyl-6-methylsulfanyl-1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-3-one

2-ethyl-6-methylsulfanyl-1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 138523015) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-ethyl-6-methylsulfanyl-1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

Compound Name2-ethyl-6-methylsulfanyl-1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-3-one
PubChem CID138523015
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name2-ethyl-6-methylsulfanyl-1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-3-one
SMILESCCn1c(=O)c2cnc(SC)nc2n1-c1ccccn1
InChIInChI=1S/C13H13N5OS/c1-3-17-12(19)9-8-15-13(20-2)16-11(9)18(17)10-6-4-5-7-14-10/h4-8H,3H2,1-2H3
InChIKeyJDZSGTBQTWPQIW-UHFFFAOYSA-N
XLogP1.72
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methylsulfanyl-1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-3-one?
The IUPAC name of 2-ethyl-6-methylsulfanyl-1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-3-one (CID 138523015) is 2-ethyl-6-methylsulfanyl-1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-3-one.
What is the SMILES notation for 2-ethyl-6-methylsulfanyl-1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-3-one?
The canonical SMILES for 2-ethyl-6-methylsulfanyl-1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-3-one is CCn1c(=O)c2cnc(SC)nc2n1-c1ccccn1.
What is the InChIKey of 2-ethyl-6-methylsulfanyl-1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-3-one?
The InChIKey is JDZSGTBQTWPQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-3-17-12(19)9-8-15-13(20-2)16-11(9)18(17)10-6-4-5-7-14-10/h4-8H,3H2,1-2H3.
What are the key properties of 2-ethyl-6-methylsulfanyl-1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-3-one?
2-ethyl-6-methylsulfanyl-1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 287.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methylsulfanyl-1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 138523015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).