[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate

C10H11FN2O5 — CID 12534499

IUPAC[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
SMILESCC(=O)OC1CCOC1n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H11FN2O5/c1-5(14)18-7-2-3-17-9(7)13-4-6(11)8(15)12-10(13)16/h4,7,9H,2-3H2,1H3,(H,12,15,16)
InChIKeyPRULZEGLJXYBCI-UHFFFAOYSA-N
MW258.20 g/mol
LogP-0.47
Rot. Bonds2

About [2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate

[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate (PubChem CID 12534499) has the molecular formula C10H11FN2O5 and a molecular weight of 258.20 g/mol. Its IUPAC name is [2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate.

Molecular Properties

Compound Name[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
PubChem CID12534499
Molecular FormulaC10H11FN2O5
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
SMILESCC(=O)OC1CCOC1n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H11FN2O5/c1-5(14)18-7-2-3-17-9(7)13-4-6(11)8(15)12-10(13)16/h4,7,9H,2-3H2,1H3,(H,12,15,16)
InChIKeyPRULZEGLJXYBCI-UHFFFAOYSA-N
XLogP-0.47
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate?
The IUPAC name of [2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate (CID 12534499) is [2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate.
What is the SMILES notation for [2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate?
The canonical SMILES for [2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate is CC(=O)OC1CCOC1n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of [2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate?
The InChIKey is PRULZEGLJXYBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O5/c1-5(14)18-7-2-3-17-9(7)13-4-6(11)8(15)12-10(13)16/h4,7,9H,2-3H2,1H3,(H,12,15,16).
What are the key properties of [2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate?
[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate has a molecular weight of 258.20 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate is sourced from PubChem (CID 12534499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).