(5-fluoro-2,4-dioxopyrimidin-1-yl) acetate

C6H5FN2O4 — CID 1269485

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl) acetate
SMILESCC(=O)On1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C6H5FN2O4/c1-3(10)13-9-2-4(7)5(11)8-6(9)12/h2H,1H3,(H,8,11,12)
InChIKeyXMVHMKJVBOLGHR-UHFFFAOYSA-N
MW188.11 g/mol
LogP-1.35
Rot. Bonds1

About (5-fluoro-2,4-dioxopyrimidin-1-yl) acetate

(5-fluoro-2,4-dioxopyrimidin-1-yl) acetate (PubChem CID 1269485) has the molecular formula C6H5FN2O4 and a molecular weight of 188.11 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl) acetate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl) acetate
PubChem CID1269485
Molecular FormulaC6H5FN2O4
Molecular Weight188.11 g/mol
Exact Mass188.02
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl) acetate
SMILESCC(=O)On1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C6H5FN2O4/c1-3(10)13-9-2-4(7)5(11)8-6(9)12/h2H,1H3,(H,8,11,12)
InChIKeyXMVHMKJVBOLGHR-UHFFFAOYSA-N
XLogP-1.35
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-fluoro-2,4-dioxopyrimidin-1-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 (5-fluoro-2,4-dioxopyrimidin-1-yl) acetate?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl) acetate (CID 1269485) is (5-fluoro-2,4-dioxopyrimidin-1-yl) acetate.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl) acetate?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl) acetate is CC(=O)On1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl) acetate?
The InChIKey is XMVHMKJVBOLGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O4/c1-3(10)13-9-2-4(7)5(11)8-6(9)12/h2H,1H3,(H,8,11,12).
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl) acetate?
(5-fluoro-2,4-dioxopyrimidin-1-yl) acetate has a molecular weight of 188.11 g/mol, XLogP of -1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dioxopyrimidin-1-yl) acetate is sourced from PubChem (CID 1269485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).