1-methyl-6-methylsulfanylpyrimidin-4-one

C6H8N2OS — CID 91618501

IUPAC1-methyl-6-methylsulfanylpyrimidin-4-one
SMILESCSc1cc(=O)ncn1C
InChIInChI=1S/C6H8N2OS/c1-8-4-7-5(9)3-6(8)10-2/h3-4H,1-2H3
InChIKeyJJCSSVSMCJCLNU-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.50
Rot. Bonds1

About 1-methyl-6-methylsulfanylpyrimidin-4-one

1-methyl-6-methylsulfanylpyrimidin-4-one (PubChem CID 91618501) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 1-methyl-6-methylsulfanylpyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-6-methylsulfanylpyrimidin-4-one
PubChem CID91618501
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name1-methyl-6-methylsulfanylpyrimidin-4-one
SMILESCSc1cc(=O)ncn1C
InChIInChI=1S/C6H8N2OS/c1-8-4-7-5(9)3-6(8)10-2/h3-4H,1-2H3
InChIKeyJJCSSVSMCJCLNU-UHFFFAOYSA-N
XLogP0.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-methylsulfanylpyrimidin-4-one?
The IUPAC name of 1-methyl-6-methylsulfanylpyrimidin-4-one (CID 91618501) is 1-methyl-6-methylsulfanylpyrimidin-4-one.
What is the SMILES notation for 1-methyl-6-methylsulfanylpyrimidin-4-one?
The canonical SMILES for 1-methyl-6-methylsulfanylpyrimidin-4-one is CSc1cc(=O)ncn1C.
What is the InChIKey of 1-methyl-6-methylsulfanylpyrimidin-4-one?
The InChIKey is JJCSSVSMCJCLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-8-4-7-5(9)3-6(8)10-2/h3-4H,1-2H3.
What are the key properties of 1-methyl-6-methylsulfanylpyrimidin-4-one?
1-methyl-6-methylsulfanylpyrimidin-4-one has a molecular weight of 156.21 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-methylsulfanylpyrimidin-4-one is sourced from PubChem (CID 91618501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).