1-(4-methyl-2-methylsulfanylpyrimidin-5-yl)ethanone

C8H10N2OS — CID 4555739

IUPAC1-(4-methyl-2-methylsulfanylpyrimidin-5-yl)ethanone
SMILESCSc1ncc(C(C)=O)c(C)n1
InChIInChI=1S/C8H10N2OS/c1-5-7(6(2)11)4-9-8(10-5)12-3/h4H,1-3H3
InChIKeySNNMYESMZCJSPK-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.71
Rot. Bonds2

About 1-(4-methyl-2-methylsulfanylpyrimidin-5-yl)ethanone

1-(4-methyl-2-methylsulfanylpyrimidin-5-yl)ethanone (PubChem CID 4555739) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 1-(4-methyl-2-methylsulfanylpyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-2-methylsulfanylpyrimidin-5-yl)ethanone
PubChem CID4555739
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name1-(4-methyl-2-methylsulfanylpyrimidin-5-yl)ethanone
SMILESCSc1ncc(C(C)=O)c(C)n1
InChIInChI=1S/C8H10N2OS/c1-5-7(6(2)11)4-9-8(10-5)12-3/h4H,1-3H3
InChIKeySNNMYESMZCJSPK-UHFFFAOYSA-N
XLogP1.71
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-methylsulfanylpyrimidin-5-yl)ethanone?
The IUPAC name of 1-(4-methyl-2-methylsulfanylpyrimidin-5-yl)ethanone (CID 4555739) is 1-(4-methyl-2-methylsulfanylpyrimidin-5-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-2-methylsulfanylpyrimidin-5-yl)ethanone?
The canonical SMILES for 1-(4-methyl-2-methylsulfanylpyrimidin-5-yl)ethanone is CSc1ncc(C(C)=O)c(C)n1.
What is the InChIKey of 1-(4-methyl-2-methylsulfanylpyrimidin-5-yl)ethanone?
The InChIKey is SNNMYESMZCJSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-5-7(6(2)11)4-9-8(10-5)12-3/h4H,1-3H3.
What are the key properties of 1-(4-methyl-2-methylsulfanylpyrimidin-5-yl)ethanone?
1-(4-methyl-2-methylsulfanylpyrimidin-5-yl)ethanone has a molecular weight of 182.25 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-methylsulfanylpyrimidin-5-yl)ethanone is sourced from PubChem (CID 4555739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).