methyl 2-[5-methyl-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetate

C11H16N2O6S — CID 141498865

IUPACmethyl 2-[5-methyl-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetate
SMILESCOC(=O)Cn1cc(C)c(=O)n(CCS(C)(=O)=O)c1=O
InChIInChI=1S/C11H16N2O6S/c1-8-6-12(7-9(14)19-2)11(16)13(10(8)15)4-5-20(3,17)18/h6H,4-5,7H2,1-3H3
InChIKeyVPYKDDPKUPSALX-UHFFFAOYSA-N
MW304.32 g/mol
LogP-1.46
Rot. Bonds5

About methyl 2-[5-methyl-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetate

methyl 2-[5-methyl-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetate (PubChem CID 141498865) has the molecular formula C11H16N2O6S and a molecular weight of 304.32 g/mol. Its IUPAC name is methyl 2-[5-methyl-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-methyl-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetate
PubChem CID141498865
Molecular FormulaC11H16N2O6S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC Namemethyl 2-[5-methyl-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetate
SMILESCOC(=O)Cn1cc(C)c(=O)n(CCS(C)(=O)=O)c1=O
InChIInChI=1S/C11H16N2O6S/c1-8-6-12(7-9(14)19-2)11(16)13(10(8)15)4-5-20(3,17)18/h6H,4-5,7H2,1-3H3
InChIKeyVPYKDDPKUPSALX-UHFFFAOYSA-N
XLogP-1.46
TPSA104.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 5-1.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-[5-bromo-3-(2-methoxyethyl)-2,4-dioxopyrimidin-1-yl]acetate
CID 141498859
methyl 2-[5-bromo-3-(2-methylsulfanylethyl)-2,4-dioxopyrimidin-1-yl]acetate
CID 141498875
ethyl 2-[5-methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2,4-dioxopyrimidin-1-yl]acetate
CID 163462015
5-amino-1-ethyl-3-(2-methylsulfonylethyl)pyrimidine-2,4-dione
CID 63799404
methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
methyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate
CID 63800107
methyl 5-bromo-1-(2-methylsulfonylethyl)-2-oxopyridine-3-carboxylate
CID 59353846
methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate
CID 59562280
methyl 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetate
CID 66487519
ethyl 2-[5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)pyrimidin-1-yl]acetate
CID 18415006
methyl 12-[5-fluoro-3-(12-methoxy-12-oxododecyl)-2,4-dioxopyrimidin-1-yl]dodecanoate
CID 11664031
methyl 2-[5-(bromomethyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]acetate
CID 141498816

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-methyl-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetate?
The IUPAC name of methyl 2-[5-methyl-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetate (CID 141498865) is methyl 2-[5-methyl-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-methyl-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetate?
The canonical SMILES for methyl 2-[5-methyl-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetate is COC(=O)Cn1cc(C)c(=O)n(CCS(C)(=O)=O)c1=O.
What is the InChIKey of methyl 2-[5-methyl-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetate?
The InChIKey is VPYKDDPKUPSALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6S/c1-8-6-12(7-9(14)19-2)11(16)13(10(8)15)4-5-20(3,17)18/h6H,4-5,7H2,1-3H3.
What are the key properties of methyl 2-[5-methyl-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetate?
methyl 2-[5-methyl-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetate has a molecular weight of 304.32 g/mol, XLogP of -1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-methyl-3-(2-methylsulfonylethyl)-2,4-dioxopyrimidin-1-yl]acetate is sourced from PubChem (CID 141498865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).