1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione

C10H13FN2O3 — CID 142167597

IUPAC1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione
SMILESCCC1CCC(n2cc(F)c(=O)[nH]c2=O)O1
InChIInChI=1S/C10H13FN2O3/c1-2-6-3-4-8(16-6)13-5-7(11)9(14)12-10(13)15/h5-6,8H,2-4H2,1H3,(H,12,14,15)
InChIKeyKQCJEDROPXPLOV-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.76
Rot. Bonds2

About 1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione

1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione (PubChem CID 142167597) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is 1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione
PubChem CID142167597
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione
SMILESCCC1CCC(n2cc(F)c(=O)[nH]c2=O)O1
InChIInChI=1S/C10H13FN2O3/c1-2-6-3-4-8(16-6)13-5-7(11)9(14)12-10(13)15/h5-6,8H,2-4H2,1H3,(H,12,14,15)
InChIKeyKQCJEDROPXPLOV-UHFFFAOYSA-N
XLogP0.76
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(bromomethyl)-1-[(2R,5R)-5-ethyloxolan-2-yl]pyrimidine-2,4-dione
CID 89276023
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propyl hydrogen phosphite
CID 139341090
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-aminoacetate
CID 153342279
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium;methanol
CID 171528817
CID 156804470
CID 156804470
5-fluoro-1-[3-(hydroxymethyl)-1,4-dioxepan-5-yl]pyrimidine-2,4-dione
CID 101097973
[[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy(methoxy)phosphoryl] hydrogen phosphate
CID 130458206
5-fluoro-1-(oxolan-2-yl)(213C,1,3-15N2)pyrimidine-2,4-dione
CID 71434333
(3,5-dimethylphenyl)methyl [(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
CID 142624421
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;sulfanol
CID 177038919
5-fluoro-1-[5-[[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(methylamino)oxolan-2-yl]methoxy]phosphinothioyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 174318070
[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2,4,5-trifluorophenyl)methyl hydrogen phosphate
CID 142624414

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione (CID 142167597) is 1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione is CCC1CCC(n2cc(F)c(=O)[nH]c2=O)O1.
What is the InChIKey of 1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione?
The InChIKey is KQCJEDROPXPLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c1-2-6-3-4-8(16-6)13-5-7(11)9(14)12-10(13)15/h5-6,8H,2-4H2,1H3,(H,12,14,15).
What are the key properties of 1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione?
1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione has a molecular weight of 228.22 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 142167597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).