ethyl 5-fluoro-2,4-dioxo-3-propanoylpyrimidine-1-carboxylate

C10H11FN2O5 — CID 12690849

IUPACethyl 5-fluoro-2,4-dioxo-3-propanoylpyrimidine-1-carboxylate
SMILESCCOC(=O)n1cc(F)c(=O)n(C(=O)CC)c1=O
InChIInChI=1S/C10H11FN2O5/c1-3-7(14)13-8(15)6(11)5-12(9(13)16)10(17)18-4-2/h5H,3-4H2,1-2H3
InChIKeyGKQFUZNZLJPMCQ-UHFFFAOYSA-N
MW258.20 g/mol
LogP0.20
Rot. Bonds2

About ethyl 5-fluoro-2,4-dioxo-3-propanoylpyrimidine-1-carboxylate

ethyl 5-fluoro-2,4-dioxo-3-propanoylpyrimidine-1-carboxylate (PubChem CID 12690849) has the molecular formula C10H11FN2O5 and a molecular weight of 258.20 g/mol. Its IUPAC name is ethyl 5-fluoro-2,4-dioxo-3-propanoylpyrimidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-2,4-dioxo-3-propanoylpyrimidine-1-carboxylate
PubChem CID12690849
Molecular FormulaC10H11FN2O5
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Nameethyl 5-fluoro-2,4-dioxo-3-propanoylpyrimidine-1-carboxylate
SMILESCCOC(=O)n1cc(F)c(=O)n(C(=O)CC)c1=O
InChIInChI=1S/C10H11FN2O5/c1-3-7(14)13-8(15)6(11)5-12(9(13)16)10(17)18-4-2/h5H,3-4H2,1-2H3
InChIKeyGKQFUZNZLJPMCQ-UHFFFAOYSA-N
XLogP0.20
TPSA87.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 5-fluoro-2,4-dioxo-3-propanoylpyrimidine-1-carboxylate 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 ethyl 5-fluoro-2,4-dioxo-3-propanoylpyrimidine-1-carboxylate?
The IUPAC name of ethyl 5-fluoro-2,4-dioxo-3-propanoylpyrimidine-1-carboxylate (CID 12690849) is ethyl 5-fluoro-2,4-dioxo-3-propanoylpyrimidine-1-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-2,4-dioxo-3-propanoylpyrimidine-1-carboxylate?
The canonical SMILES for ethyl 5-fluoro-2,4-dioxo-3-propanoylpyrimidine-1-carboxylate is CCOC(=O)n1cc(F)c(=O)n(C(=O)CC)c1=O.
What is the InChIKey of ethyl 5-fluoro-2,4-dioxo-3-propanoylpyrimidine-1-carboxylate?
The InChIKey is GKQFUZNZLJPMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O5/c1-3-7(14)13-8(15)6(11)5-12(9(13)16)10(17)18-4-2/h5H,3-4H2,1-2H3.
What are the key properties of ethyl 5-fluoro-2,4-dioxo-3-propanoylpyrimidine-1-carboxylate?
ethyl 5-fluoro-2,4-dioxo-3-propanoylpyrimidine-1-carboxylate has a molecular weight of 258.20 g/mol, XLogP of 0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-2,4-dioxo-3-propanoylpyrimidine-1-carboxylate is sourced from PubChem (CID 12690849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).