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

C9H9N3OS — CID 21073406

IUPAC4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCSc1nc(C)c2ccc(=O)[nH]c2n1
InChIInChI=1S/C9H9N3OS/c1-5-6-3-4-7(13)11-8(6)12-9(10-5)14-2/h3-4H,1-2H3,(H,10,11,12,13)
InChIKeyQELLOHDXPWBISF-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.35
Rot. Bonds1

About 4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one

4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 21073406) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID21073406
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCSc1nc(C)c2ccc(=O)[nH]c2n1
InChIInChI=1S/C9H9N3OS/c1-5-6-3-4-7(13)11-8(6)12-9(10-5)14-2/h3-4H,1-2H3,(H,10,11,12,13)
InChIKeyQELLOHDXPWBISF-UHFFFAOYSA-N
XLogP1.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one (CID 21073406) is 4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one is CSc1nc(C)c2ccc(=O)[nH]c2n1.
What is the InChIKey of 4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QELLOHDXPWBISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-5-6-3-4-7(13)11-8(6)12-9(10-5)14-2/h3-4H,1-2H3,(H,10,11,12,13).
What are the key properties of 4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one?
4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 207.26 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 21073406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).