ethyl 5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidine-1-carboxylate

C11H13FN2O5 — CID 154136506

IUPACethyl 5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidine-1-carboxylate
SMILESCCOC(=O)n1c(=O)c(F)cn(C2CCCO2)c1=O
InChIInChI=1S/C11H13FN2O5/c1-2-18-11(17)14-9(15)7(12)6-13(10(14)16)8-4-3-5-19-8/h6,8H,2-5H2,1H3
InChIKeyIWISLOBSSRFRJR-UHFFFAOYSA-N
MW272.23 g/mol
LogP0.46
Rot. Bonds2

About ethyl 5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidine-1-carboxylate

ethyl 5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidine-1-carboxylate (PubChem CID 154136506) has the molecular formula C11H13FN2O5 and a molecular weight of 272.23 g/mol. Its IUPAC name is ethyl 5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidine-1-carboxylate
PubChem CID154136506
Molecular FormulaC11H13FN2O5
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Nameethyl 5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidine-1-carboxylate
SMILESCCOC(=O)n1c(=O)c(F)cn(C2CCCO2)c1=O
InChIInChI=1S/C11H13FN2O5/c1-2-18-11(17)14-9(15)7(12)6-13(10(14)16)8-4-3-5-19-8/h6,8H,2-5H2,1H3
InChIKeyIWISLOBSSRFRJR-UHFFFAOYSA-N
XLogP0.46
TPSA79.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidine-1-carboxylate?
The IUPAC name of ethyl 5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidine-1-carboxylate (CID 154136506) is ethyl 5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidine-1-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidine-1-carboxylate?
The canonical SMILES for ethyl 5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidine-1-carboxylate is CCOC(=O)n1c(=O)c(F)cn(C2CCCO2)c1=O.
What is the InChIKey of ethyl 5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidine-1-carboxylate?
The InChIKey is IWISLOBSSRFRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O5/c1-2-18-11(17)14-9(15)7(12)6-13(10(14)16)8-4-3-5-19-8/h6,8H,2-5H2,1H3.
What are the key properties of ethyl 5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidine-1-carboxylate?
ethyl 5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidine-1-carboxylate has a molecular weight of 272.23 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidine-1-carboxylate is sourced from PubChem (CID 154136506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).