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

C6H5FN2O4 — CID 174539887

IUPACfluoro 2-(2,4-dioxopyrimidin-1-yl)acetate
SMILESO=C(Cn1ccc(=O)[nH]c1=O)OF
InChIInChI=1S/C6H5FN2O4/c7-13-5(11)3-9-2-1-4(10)8-6(9)12/h1-2H,3H2,(H,8,10,12)
InChIKeyWGSHJKCLKKAWMY-UHFFFAOYSA-N
MW188.11 g/mol
LogP-1.04
Rot. Bonds2

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

fluoro 2-(2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 174539887) has the molecular formula C6H5FN2O4 and a molecular weight of 188.11 g/mol. Its IUPAC name is fluoro 2-(2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Namefluoro 2-(2,4-dioxopyrimidin-1-yl)acetate
PubChem CID174539887
Molecular FormulaC6H5FN2O4
Molecular Weight188.11 g/mol
Exact Mass188.02
IUPAC Namefluoro 2-(2,4-dioxopyrimidin-1-yl)acetate
SMILESO=C(Cn1ccc(=O)[nH]c1=O)OF
InChIInChI=1S/C6H5FN2O4/c7-13-5(11)3-9-2-1-4(10)8-6(9)12/h1-2H,3H2,(H,8,10,12)
InChIKeyWGSHJKCLKKAWMY-UHFFFAOYSA-N
XLogP-1.04
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 255733
2-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
CID 1378560
2-(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)acetic acid
CID 2512745
2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)acetic acid
CID 16037827
1(2H)-pyrimidineacetic acid, 5-fluoro-3,4-dihydro-2,4-dioxo-, methyl ester
CID 637881
2-(3-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 16774570
Fluorouracil-1-acetic acid
CID 141092594
tert-Butyl uracil-1-ylacetate
CID 2802880
methyl (2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate
CID 15128034
5-Fluorouracil-acetic acid
CID 12844136
Carboxyuracil
CID 21453665
2-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide
CID 43236993

Frequently Asked Questions

What is the IUPAC name of fluoro 2-(2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of fluoro 2-(2,4-dioxopyrimidin-1-yl)acetate (CID 174539887) is fluoro 2-(2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for fluoro 2-(2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for fluoro 2-(2,4-dioxopyrimidin-1-yl)acetate is O=C(Cn1ccc(=O)[nH]c1=O)OF.
What is the InChIKey of fluoro 2-(2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is WGSHJKCLKKAWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O4/c7-13-5(11)3-9-2-1-4(10)8-6(9)12/h1-2H,3H2,(H,8,10,12).
What are the key properties of fluoro 2-(2,4-dioxopyrimidin-1-yl)acetate?
fluoro 2-(2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 188.11 g/mol, XLogP of -1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-(2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 174539887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).