ethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate

C10H12FN3O5 — CID 70600246

IUPACethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
SMILESCCOC(=O)C(NC(C)=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H12FN3O5/c1-3-19-9(17)7(12-5(2)15)14-4-6(11)8(16)13-10(14)18/h4,7H,3H2,1-2H3,(H,12,15)(H,13,16,18)
InChIKeyBRGDSZQGOZAFPY-UHFFFAOYSA-N
MW273.22 g/mol
LogP-1.13
Rot. Bonds4

About ethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate

ethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 70600246) has the molecular formula C10H12FN3O5 and a molecular weight of 273.22 g/mol. Its IUPAC name is ethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
PubChem CID70600246
Molecular FormulaC10H12FN3O5
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Nameethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
SMILESCCOC(=O)C(NC(C)=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H12FN3O5/c1-3-19-9(17)7(12-5(2)15)14-4-6(11)8(16)13-10(14)18/h4,7H,3H2,1-2H3,(H,12,15)(H,13,16,18)
InChIKeyBRGDSZQGOZAFPY-UHFFFAOYSA-N
XLogP-1.13
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of ethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate (CID 70600246) is ethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for ethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate is CCOC(=O)C(NC(C)=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of ethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is BRGDSZQGOZAFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O5/c1-3-19-9(17)7(12-5(2)15)14-4-6(11)8(16)13-10(14)18/h4,7H,3H2,1-2H3,(H,12,15)(H,13,16,18).
What are the key properties of ethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
ethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 273.22 g/mol, XLogP of -1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 70600246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).