5-ethyl-3-methyl-2-methylsulfanylpyrimidin-4-one

C8H12N2OS — CID 86188889

IUPAC5-ethyl-3-methyl-2-methylsulfanylpyrimidin-4-one
SMILESCCc1cnc(SC)n(C)c1=O
InChIInChI=1S/C8H12N2OS/c1-4-6-5-9-8(12-3)10(2)7(6)11/h5H,4H2,1-3H3
InChIKeyXGVNROYDDRJKGX-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.06
Rot. Bonds2

About 5-ethyl-3-methyl-2-methylsulfanylpyrimidin-4-one

5-ethyl-3-methyl-2-methylsulfanylpyrimidin-4-one (PubChem CID 86188889) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-ethyl-3-methyl-2-methylsulfanylpyrimidin-4-one.

Molecular Properties

Compound Name5-ethyl-3-methyl-2-methylsulfanylpyrimidin-4-one
PubChem CID86188889
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name5-ethyl-3-methyl-2-methylsulfanylpyrimidin-4-one
SMILESCCc1cnc(SC)n(C)c1=O
InChIInChI=1S/C8H12N2OS/c1-4-6-5-9-8(12-3)10(2)7(6)11/h5H,4H2,1-3H3
InChIKeyXGVNROYDDRJKGX-UHFFFAOYSA-N
XLogP1.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-2-methylsulfanylpyrimidin-4-one?
The IUPAC name of 5-ethyl-3-methyl-2-methylsulfanylpyrimidin-4-one (CID 86188889) is 5-ethyl-3-methyl-2-methylsulfanylpyrimidin-4-one.
What is the SMILES notation for 5-ethyl-3-methyl-2-methylsulfanylpyrimidin-4-one?
The canonical SMILES for 5-ethyl-3-methyl-2-methylsulfanylpyrimidin-4-one is CCc1cnc(SC)n(C)c1=O.
What is the InChIKey of 5-ethyl-3-methyl-2-methylsulfanylpyrimidin-4-one?
The InChIKey is XGVNROYDDRJKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-4-6-5-9-8(12-3)10(2)7(6)11/h5H,4H2,1-3H3.
What are the key properties of 5-ethyl-3-methyl-2-methylsulfanylpyrimidin-4-one?
5-ethyl-3-methyl-2-methylsulfanylpyrimidin-4-one has a molecular weight of 184.26 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-2-methylsulfanylpyrimidin-4-one is sourced from PubChem (CID 86188889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).