[2-[1-[5-(2-methylbutyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate

C17H24N2O6 — CID 138706175

IUPAC[2-[1-[5-(2-methylbutyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate
SMILESCCC(C)CC1CCC(n2cc(C(=O)COC(C)=O)c(=O)[nH]c2=O)O1
InChIInChI=1S/C17H24N2O6/c1-4-10(2)7-12-5-6-15(25-12)19-8-13(16(22)18-17(19)23)14(21)9-24-11(3)20/h8,10,12,15H,4-7,9H2,1-3H3,(H,18,22,23)
InChIKeyJCDSUOHUWZOAEP-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.40
Rot. Bonds7

About [2-[1-[5-(2-methylbutyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate

[2-[1-[5-(2-methylbutyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate (PubChem CID 138706175) has the molecular formula C17H24N2O6 and a molecular weight of 352.39 g/mol. Its IUPAC name is [2-[1-[5-(2-methylbutyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[1-[5-(2-methylbutyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate
PubChem CID138706175
Molecular FormulaC17H24N2O6
Molecular Weight352.39 g/mol
Exact Mass352.16
IUPAC Name[2-[1-[5-(2-methylbutyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate
SMILESCCC(C)CC1CCC(n2cc(C(=O)COC(C)=O)c(=O)[nH]c2=O)O1
InChIInChI=1S/C17H24N2O6/c1-4-10(2)7-12-5-6-15(25-12)19-8-13(16(22)18-17(19)23)14(21)9-24-11(3)20/h8,10,12,15H,4-7,9H2,1-3H3,(H,18,22,23)
InChIKeyJCDSUOHUWZOAEP-UHFFFAOYSA-N
XLogP1.40
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[1-[5-(2-methylbutyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate with MolForge

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Related Compounds

[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate
CID 164881982
4-O-ethyl 1-O-methyl (Z)-2-[1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-2-enedioate
CID 5274013
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propanoate
CID 67831429
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
CID 169201537
5-(bromomethyl)-1-[(2R,5R)-5-ethyloxolan-2-yl]pyrimidine-2,4-dione
CID 89276023
1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
CID 139418563
2-[2,4-dioxo-1-[(2R)-5-pentan-2-yloxolan-2-yl]pyrimidin-5-yl]oxyacetic acid
CID 174012917
methanol;methyl 2-[1-[5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetate
CID 169201569
1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione
CID 142167597
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;sulfanol
CID 177038919
[5-(5-formyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-trihydroxyphosphanium;methanol
CID 153342401
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite
CID 170193041

Frequently Asked Questions

What is the IUPAC name of [2-[1-[5-(2-methylbutyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate?
The IUPAC name of [2-[1-[5-(2-methylbutyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate (CID 138706175) is [2-[1-[5-(2-methylbutyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[1-[5-(2-methylbutyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate?
The canonical SMILES for [2-[1-[5-(2-methylbutyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate is CCC(C)CC1CCC(n2cc(C(=O)COC(C)=O)c(=O)[nH]c2=O)O1.
What is the InChIKey of [2-[1-[5-(2-methylbutyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate?
The InChIKey is JCDSUOHUWZOAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6/c1-4-10(2)7-12-5-6-15(25-12)19-8-13(16(22)18-17(19)23)14(21)9-24-11(3)20/h8,10,12,15H,4-7,9H2,1-3H3,(H,18,22,23).
What are the key properties of [2-[1-[5-(2-methylbutyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate?
[2-[1-[5-(2-methylbutyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate has a molecular weight of 352.39 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[5-(2-methylbutyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-2-oxoethyl] acetate is sourced from PubChem (CID 138706175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).