2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one

C8H7N3OS — CID 1234763

IUPAC2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2ccc(=O)[nH]c2n1
InChIInChI=1S/C8H7N3OS/c1-13-8-9-4-5-2-3-6(12)10-7(5)11-8/h2-4H,1H3,(H,9,10,11,12)
InChIKeyWPUAPGRZGJOIBX-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.04
Rot. Bonds1

About 2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one

2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 1234763) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is 2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID1234763
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2ccc(=O)[nH]c2n1
InChIInChI=1S/C8H7N3OS/c1-13-8-9-4-5-2-3-6(12)10-7(5)11-8/h2-4H,1H3,(H,9,10,11,12)
InChIKeyWPUAPGRZGJOIBX-UHFFFAOYSA-N
XLogP1.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one (CID 1234763) is 2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one is CSc1ncc2ccc(=O)[nH]c2n1.
What is the InChIKey of 2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WPUAPGRZGJOIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c1-13-8-9-4-5-2-3-6(12)10-7(5)11-8/h2-4H,1H3,(H,9,10,11,12).
What are the key properties of 2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 193.23 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 1234763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).