2-[1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate

C10H13FN2O5 — CID 13057121

IUPAC2-[1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate
SMILESCC(=O)OCCOC(C)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H13FN2O5/c1-6(17-3-4-18-7(2)14)13-5-8(11)9(15)12-10(13)16/h5-6H,3-4H2,1-2H3,(H,12,15,16)
InChIKeyLBAKAYJLUSUOII-UHFFFAOYSA-N
MW260.22 g/mol
LogP-0.23
Rot. Bonds5

About 2-[1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate

2-[1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate (PubChem CID 13057121) has the molecular formula C10H13FN2O5 and a molecular weight of 260.22 g/mol. Its IUPAC name is 2-[1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate.

Molecular Properties

Compound Name2-[1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate
PubChem CID13057121
Molecular FormulaC10H13FN2O5
Molecular Weight260.22 g/mol
Exact Mass260.08
IUPAC Name2-[1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate
SMILESCC(=O)OCCOC(C)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H13FN2O5/c1-6(17-3-4-18-7(2)14)13-5-8(11)9(15)12-10(13)16/h5-6H,3-4H2,1-2H3,(H,12,15,16)
InChIKeyLBAKAYJLUSUOII-UHFFFAOYSA-N
XLogP-0.23
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate?
The IUPAC name of 2-[1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate (CID 13057121) is 2-[1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate.
What is the SMILES notation for 2-[1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate?
The canonical SMILES for 2-[1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate is CC(=O)OCCOC(C)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 2-[1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate?
The InChIKey is LBAKAYJLUSUOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O5/c1-6(17-3-4-18-7(2)14)13-5-8(11)9(15)12-10(13)16/h5-6H,3-4H2,1-2H3,(H,12,15,16).
What are the key properties of 2-[1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate?
2-[1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate has a molecular weight of 260.22 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl acetate is sourced from PubChem (CID 13057121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).