2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetic acid

C8H9FN2O4 — CID 81298659

IUPAC2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetic acid
SMILESCCc1cn(C(F)C(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C8H9FN2O4/c1-2-4-3-11(5(9)7(13)14)8(15)10-6(4)12/h3,5H,2H2,1H3,(H,13,14)(H,10,12,15)
InChIKeyFAVYSHHOXMUXLI-UHFFFAOYSA-N
MW216.17 g/mol
LogP-0.35
Rot. Bonds3

About 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetic acid

2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetic acid (PubChem CID 81298659) has the molecular formula C8H9FN2O4 and a molecular weight of 216.17 g/mol. Its IUPAC name is 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetic acid
PubChem CID81298659
Molecular FormulaC8H9FN2O4
Molecular Weight216.17 g/mol
Exact Mass216.05
IUPAC Name2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetic acid
SMILESCCc1cn(C(F)C(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C8H9FN2O4/c1-2-4-3-11(5(9)7(13)14)8(15)10-6(4)12/h3,5H,2H2,1H3,(H,13,14)(H,10,12,15)
InChIKeyFAVYSHHOXMUXLI-UHFFFAOYSA-N
XLogP-0.35
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 853753
(2S)-2-(dimethylamino)-3-(5-ethyl-2,4-dioxopyrimidin-1-yl)propanoic acid
CID 56774428
(2S)-2-(diethylamino)-3-(5-ethyl-2,4-dioxopyrimidin-1-yl)propanoic acid
CID 71693221
n3-Carboxymethylthymine
CID 15747554
2-[2-(5-Methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]acetic acid
CID 89904170
2-(2,4-Dioxo-5-(trifluoromethyl)-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
CID 54344909
2-[2-(Carbonofluoridoylamino)ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 143914917
2-(5-Fluoro-2,4-dioxopyrimidin-1-yl)butanoic acid
CID 175290961
2-[[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid
CID 54529873
Thymine-1-yl butyric acid
CID 129734193
2-[(5-Fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid
CID 53328705
5-Ethyl-1-(2-fluoroethyl)pyrimidine-2,4-dione
CID 80695142

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetic acid (CID 81298659) is 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetic acid is CCc1cn(C(F)C(=O)O)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetic acid?
The InChIKey is FAVYSHHOXMUXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O4/c1-2-4-3-11(5(9)7(13)14)8(15)10-6(4)12/h3,5H,2H2,1H3,(H,13,14)(H,10,12,15).
What are the key properties of 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetic acid?
2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetic acid has a molecular weight of 216.17 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetic acid is sourced from PubChem (CID 81298659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).