[5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate

C15H19BrN2O6 — CID 58021760

IUPAC[5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate
SMILESCCC1OC(n2cc(Br)c(=O)[nH]c2=O)CC1OC(=O)CCC(C)=O
InChIInChI=1S/C15H19BrN2O6/c1-3-10-11(24-13(20)5-4-8(2)19)6-12(23-10)18-7-9(16)14(21)17-15(18)22/h7,10-12H,3-6H2,1-2H3,(H,17,21,22)
InChIKeyQIOSNZWGUREGBD-UHFFFAOYSA-N
MW403.23 g/mol
LogP1.28
Rot. Bonds6

About [5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate

[5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate (PubChem CID 58021760) has the molecular formula C15H19BrN2O6 and a molecular weight of 403.23 g/mol. Its IUPAC name is [5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate.

Molecular Properties

Compound Name[5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate
PubChem CID58021760
Molecular FormulaC15H19BrN2O6
Molecular Weight403.23 g/mol
Exact Mass402.04
IUPAC Name[5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate
SMILESCCC1OC(n2cc(Br)c(=O)[nH]c2=O)CC1OC(=O)CCC(C)=O
InChIInChI=1S/C15H19BrN2O6/c1-3-10-11(24-13(20)5-4-8(2)19)6-12(23-10)18-7-9(16)14(21)17-15(18)22/h7,10-12H,3-6H2,1-2H3,(H,17,21,22)
InChIKeyQIOSNZWGUREGBD-UHFFFAOYSA-N
XLogP1.28
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S,3R,5S)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 4-oxopentanoate
CID 101358083
4-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid
CID 167668198
[2-[5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-2-oxoethyl]phosphonic acid
CID 21149031
[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] 2-[2-(ethylamino)ethylamino]acetate
CID 14775355
[(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(methylsulfanylmethoxymethyl)oxolan-3-yl] 4-oxopentanoate
CID 123229798
[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] butanoate
CID 5301664
[(2R,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] butanoate
CID 11898979
4-[(2R,3R,5R)-2-(deuteriooxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid
CID 162478089
[(2R,4S,5R)-2-(5-bromo-2,4-dioxopyrimidin-1-yl)-5-ethyl-4-methyloxolan-3-yl] acetate
CID 118149146
5-bromo-1-[(2R,5R)-5-(hydroxymethyl)-4-sulfanyloxolan-2-yl]pyrimidine-2,4-dione
CID 89322221
5-bromo-1-[(2S,5S)-5-(hydroxymethyl)-4-sulfanyloxolan-2-yl]pyrimidine-2,4-dione
CID 57050849
[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-pentanoyloxyoxolan-2-yl]methyl pentanoate
CID 13022654

Frequently Asked Questions

What is the IUPAC name of [5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate?
The IUPAC name of [5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate (CID 58021760) is [5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate.
What is the SMILES notation for [5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate?
The canonical SMILES for [5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate is CCC1OC(n2cc(Br)c(=O)[nH]c2=O)CC1OC(=O)CCC(C)=O.
What is the InChIKey of [5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate?
The InChIKey is QIOSNZWGUREGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O6/c1-3-10-11(24-13(20)5-4-8(2)19)6-12(23-10)18-7-9(16)14(21)17-15(18)22/h7,10-12H,3-6H2,1-2H3,(H,17,21,22).
What are the key properties of [5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate?
[5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate has a molecular weight of 403.23 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] 4-oxopentanoate is sourced from PubChem (CID 58021760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).