ethyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate

C7H7FN2O4 — CID 10420370

IUPACethyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate
SMILESCCOC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C7H7FN2O4/c1-2-14-7(13)10-3-4(8)5(11)9-6(10)12/h3H,2H2,1H3,(H,9,11,12)
InChIKeyXRHUFADXPHBXFZ-UHFFFAOYSA-N
MW202.14 g/mol
LogP-0.32
Rot. Bonds1

About ethyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate

ethyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate (PubChem CID 10420370) has the molecular formula C7H7FN2O4 and a molecular weight of 202.14 g/mol. Its IUPAC name is ethyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate
PubChem CID10420370
Molecular FormulaC7H7FN2O4
Molecular Weight202.14 g/mol
Exact Mass202.04
IUPAC Nameethyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate
SMILESCCOC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C7H7FN2O4/c1-2-14-7(13)10-3-4(8)5(11)9-6(10)12/h3H,2H2,1H3,(H,9,11,12)
InChIKeyXRHUFADXPHBXFZ-UHFFFAOYSA-N
XLogP-0.32
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate
CID 755455
Stk771272
CID 4015329
5-Fluoro-1-methyl-2,4(1H,3H)-pyrimidinedione
CID 78957
1-[(2'-Acetoxyethoxy)methyl]-5-fluorouracil
CID 4443484
1-Acetyl-5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 277733
5-Fluoro-2,4-dioxo-1,3-dihydropyrimidinyl acetate
CID 1269485
5-fluoro-3-methyl-1H-pyrimidine-2,4-dione
CID 330104
1-(1-Butoxy-ethyl)-5-fluoro-1H-pyrimidine-2,4-dione
CID 2883397
Ethyl 3-acetyl-5-fluoro-2,4-dioxopyrimidine-1-carboxylate
CID 12690848
1(2H)-pyrimidineacetic acid, 5-fluoro-3,4-dihydro-2,4-dioxo-, methyl ester
CID 637881
ST4044219
CID 4223196
Ethyl 5-fluoro-2,4-dioxo-3-propanoylpyrimidine-1-carboxylate
CID 12690849

Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate?
The IUPAC name of ethyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate (CID 10420370) is ethyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate?
The canonical SMILES for ethyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate is CCOC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of ethyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate?
The InChIKey is XRHUFADXPHBXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O4/c1-2-14-7(13)10-3-4(8)5(11)9-6(10)12/h3H,2H2,1H3,(H,9,11,12).
What are the key properties of ethyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate?
ethyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate has a molecular weight of 202.14 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-2,4-dioxopyrimidine-1-carboxylate is sourced from PubChem (CID 10420370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).