3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propoxymethyl acetate

C10H13FN2O5 — CID 70558578

IUPAC3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propoxymethyl acetate
SMILESCC(=O)OCOCCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H13FN2O5/c1-7(14)18-6-17-4-2-3-13-5-8(11)9(15)12-10(13)16/h5H,2-4,6H2,1H3,(H,12,15,16)
InChIKeyJRCLBWYQIWTGKQ-UHFFFAOYSA-N
MW260.22 g/mol
LogP-0.40
Rot. Bonds6

About 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propoxymethyl acetate

3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propoxymethyl acetate (PubChem CID 70558578) has the molecular formula C10H13FN2O5 and a molecular weight of 260.22 g/mol. Its IUPAC name is 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propoxymethyl acetate.

Molecular Properties

Compound Name3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propoxymethyl acetate
PubChem CID70558578
Molecular FormulaC10H13FN2O5
Molecular Weight260.22 g/mol
Exact Mass260.08
IUPAC Name3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propoxymethyl acetate
SMILESCC(=O)OCOCCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H13FN2O5/c1-7(14)18-6-17-4-2-3-13-5-8(11)9(15)12-10(13)16/h5H,2-4,6H2,1H3,(H,12,15,16)
InChIKeyJRCLBWYQIWTGKQ-UHFFFAOYSA-N
XLogP-0.40
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propoxymethyl acetate?
The IUPAC name of 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propoxymethyl acetate (CID 70558578) is 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propoxymethyl acetate.
What is the SMILES notation for 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propoxymethyl acetate?
The canonical SMILES for 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propoxymethyl acetate is CC(=O)OCOCCCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propoxymethyl acetate?
The InChIKey is JRCLBWYQIWTGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O5/c1-7(14)18-6-17-4-2-3-13-5-8(11)9(15)12-10(13)16/h5H,2-4,6H2,1H3,(H,12,15,16).
What are the key properties of 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propoxymethyl acetate?
3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propoxymethyl acetate has a molecular weight of 260.22 g/mol, XLogP of -0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propoxymethyl acetate is sourced from PubChem (CID 70558578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).