3-methyl-5-(2-methylsulfanylethyl)pyrimidin-4-one

C8H12N2OS — CID 166057364

IUPAC3-methyl-5-(2-methylsulfanylethyl)pyrimidin-4-one
SMILESCSCCc1cncn(C)c1=O
InChIInChI=1S/C8H12N2OS/c1-10-6-9-5-7(8(10)11)3-4-12-2/h5-6H,3-4H2,1-2H3
InChIKeyFIRVEUCLQAMQAY-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.69
Rot. Bonds3

About 3-methyl-5-(2-methylsulfanylethyl)pyrimidin-4-one

3-methyl-5-(2-methylsulfanylethyl)pyrimidin-4-one (PubChem CID 166057364) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 3-methyl-5-(2-methylsulfanylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5-(2-methylsulfanylethyl)pyrimidin-4-one
PubChem CID166057364
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name3-methyl-5-(2-methylsulfanylethyl)pyrimidin-4-one
SMILESCSCCc1cncn(C)c1=O
InChIInChI=1S/C8H12N2OS/c1-10-6-9-5-7(8(10)11)3-4-12-2/h5-6H,3-4H2,1-2H3
InChIKeyFIRVEUCLQAMQAY-UHFFFAOYSA-N
XLogP0.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethylsulfanyl-3,5-dimethylpyrimidin-4-one
CID 129744101
6-Ethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 89694515
3-Methyl-5-(1-sulfanylethyl)pyrimidin-4-one
CID 126710706
5-Ethyl-3-methylpyrimidin-4-one
CID 126718918
5-(2-Ethylsulfanylacetyl)-2-methoxy-3-methylpyrimidin-4-one
CID 155236689
3-Ethyl-5-(2-methylsulfanylethyl)pyrimidin-4-one
CID 156479957
6-Ethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 162749078
3-Methyl-5-prop-1-en-2-ylpyrimidin-4-one
CID 165135880
5-(2-methylsulfanylethyl)-1H-pyrimidin-6-one
CID 167255500
5-ethyl-2-ethylsulfanyl-1H-pyrimidin-6-one
CID 54459989
3-Methyl-5,6-dihydrothieno[2,3-d]pyrimidin-4-one
CID 71437770
5-Ethyl-3-methyl-2-methylsulfanylpyrimidin-4-one
CID 86188889

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylsulfanylethyl)pyrimidin-4-one?
The IUPAC name of 3-methyl-5-(2-methylsulfanylethyl)pyrimidin-4-one (CID 166057364) is 3-methyl-5-(2-methylsulfanylethyl)pyrimidin-4-one.
What is the SMILES notation for 3-methyl-5-(2-methylsulfanylethyl)pyrimidin-4-one?
The canonical SMILES for 3-methyl-5-(2-methylsulfanylethyl)pyrimidin-4-one is CSCCc1cncn(C)c1=O.
What is the InChIKey of 3-methyl-5-(2-methylsulfanylethyl)pyrimidin-4-one?
The InChIKey is FIRVEUCLQAMQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-10-6-9-5-7(8(10)11)3-4-12-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-methyl-5-(2-methylsulfanylethyl)pyrimidin-4-one?
3-methyl-5-(2-methylsulfanylethyl)pyrimidin-4-one has a molecular weight of 184.26 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylsulfanylethyl)pyrimidin-4-one is sourced from PubChem (CID 166057364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).