[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] prop-2-enyl carbonate

C15H20N2O6 — CID 157190315

IUPAC[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CC
InChIInChI=1S/C15H20N2O6/c1-4-6-21-15(20)23-11-7-12(22-10(11)5-2)17-8-9(3)13(18)16-14(17)19/h4,8,10-12H,1,5-7H2,2-3H3,(H,16,18,19)
InChIKeyISTYWDPMYITAAB-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.25
Rot. Bonds5

About [2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] prop-2-enyl carbonate

[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] prop-2-enyl carbonate (PubChem CID 157190315) has the molecular formula C15H20N2O6 and a molecular weight of 324.33 g/mol. Its IUPAC name is [2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] prop-2-enyl carbonate.

Molecular Properties

Compound Name[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] prop-2-enyl carbonate
PubChem CID157190315
Molecular FormulaC15H20N2O6
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CC
InChIInChI=1S/C15H20N2O6/c1-4-6-21-15(20)23-11-7-12(22-10(11)5-2)17-8-9(3)13(18)16-14(17)19/h4,8,10-12H,1,5-7H2,2-3H3,(H,16,18,19)
InChIKeyISTYWDPMYITAAB-UHFFFAOYSA-N
XLogP1.25
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(2R,5R)-5-(hydroxymethyl)-4-prop-2-enoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 58059985
4-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid
CID 167668198
[(2R,3S,5R)-3-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxycarbonyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] carbonate
CID 101165928
[(2R,3R,5S)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
CID 26236818
[(3S)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 70812678
[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methanesulfonate
CID 58834055
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl prop-2-enyl carbonate
CID 10712893
[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
[(2R,3R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-prop-2-enoxyoxolan-2-yl]methyl dihydrogen phosphate
CID 122419534
[(3R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-(prop-2-enoxymethoxy)oxolan-2-yl]methyl dihydrogen phosphite
CID 154975553
1-[(2R,4S,5R)-4-(ethylsulfanylmethoxy)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 167320681

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] prop-2-enyl carbonate?
The IUPAC name of [2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] prop-2-enyl carbonate (CID 157190315) is [2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] prop-2-enyl carbonate.
What is the SMILES notation for [2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] prop-2-enyl carbonate?
The canonical SMILES for [2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] prop-2-enyl carbonate is C=CCOC(=O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CC.
What is the InChIKey of [2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] prop-2-enyl carbonate?
The InChIKey is ISTYWDPMYITAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6/c1-4-6-21-15(20)23-11-7-12(22-10(11)5-2)17-8-9(3)13(18)16-14(17)19/h4,8,10-12H,1,5-7H2,2-3H3,(H,16,18,19).
What are the key properties of [2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] prop-2-enyl carbonate?
[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] prop-2-enyl carbonate has a molecular weight of 324.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] prop-2-enyl carbonate is sourced from PubChem (CID 157190315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).