5-(2-ethylsulfanylacetyl)-2-methoxy-3-methylpyrimidin-4-one

C10H14N2O3S — CID 155236689

IUPAC5-(2-ethylsulfanylacetyl)-2-methoxy-3-methylpyrimidin-4-one
SMILESCCSCC(=O)c1cnc(OC)n(C)c1=O
InChIInChI=1S/C10H14N2O3S/c1-4-16-6-8(13)7-5-11-10(15-3)12(2)9(7)14/h5H,4,6H2,1-3H3
InChIKeyXMTNCIIACRXBGD-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.72
Rot. Bonds5

About 5-(2-ethylsulfanylacetyl)-2-methoxy-3-methylpyrimidin-4-one

5-(2-ethylsulfanylacetyl)-2-methoxy-3-methylpyrimidin-4-one (PubChem CID 155236689) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 5-(2-ethylsulfanylacetyl)-2-methoxy-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-(2-ethylsulfanylacetyl)-2-methoxy-3-methylpyrimidin-4-one
PubChem CID155236689
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name5-(2-ethylsulfanylacetyl)-2-methoxy-3-methylpyrimidin-4-one
SMILESCCSCC(=O)c1cnc(OC)n(C)c1=O
InChIInChI=1S/C10H14N2O3S/c1-4-16-6-8(13)7-5-11-10(15-3)12(2)9(7)14/h5H,4,6H2,1-3H3
InChIKeyXMTNCIIACRXBGD-UHFFFAOYSA-N
XLogP0.72
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylsulfanylacetyl)-2-methoxy-3-methylpyrimidin-4-one?
The IUPAC name of 5-(2-ethylsulfanylacetyl)-2-methoxy-3-methylpyrimidin-4-one (CID 155236689) is 5-(2-ethylsulfanylacetyl)-2-methoxy-3-methylpyrimidin-4-one.
What is the SMILES notation for 5-(2-ethylsulfanylacetyl)-2-methoxy-3-methylpyrimidin-4-one?
The canonical SMILES for 5-(2-ethylsulfanylacetyl)-2-methoxy-3-methylpyrimidin-4-one is CCSCC(=O)c1cnc(OC)n(C)c1=O.
What is the InChIKey of 5-(2-ethylsulfanylacetyl)-2-methoxy-3-methylpyrimidin-4-one?
The InChIKey is XMTNCIIACRXBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-4-16-6-8(13)7-5-11-10(15-3)12(2)9(7)14/h5H,4,6H2,1-3H3.
What are the key properties of 5-(2-ethylsulfanylacetyl)-2-methoxy-3-methylpyrimidin-4-one?
5-(2-ethylsulfanylacetyl)-2-methoxy-3-methylpyrimidin-4-one has a molecular weight of 242.30 g/mol, XLogP of 0.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylsulfanylacetyl)-2-methoxy-3-methylpyrimidin-4-one is sourced from PubChem (CID 155236689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).