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

C11H15FN2O4 — CID 3075295

IUPACpentyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
SMILESCCCCCOC(=O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H15FN2O4/c1-2-3-4-5-18-9(15)7-14-6-8(12)10(16)13-11(14)17/h6H,2-5,7H2,1H3,(H,13,16,17)
InChIKeyFEODLFQIOZXXGY-UHFFFAOYSA-N
MW258.25 g/mol
LogP0.41
Rot. Bonds6

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

pentyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 3075295) has the molecular formula C11H15FN2O4 and a molecular weight of 258.25 g/mol. Its IUPAC name is pentyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Namepentyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
PubChem CID3075295
Molecular FormulaC11H15FN2O4
Molecular Weight258.25 g/mol
Exact Mass258.10
IUPAC Namepentyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
SMILESCCCCCOC(=O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H15FN2O4/c1-2-3-4-5-18-9(15)7-14-6-8(12)10(16)13-11(14)17/h6H,2-5,7H2,1H3,(H,13,16,17)
InChIKeyFEODLFQIOZXXGY-UHFFFAOYSA-N
XLogP0.41
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze pentyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate 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 pentyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of pentyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate (CID 3075295) is pentyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for pentyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for pentyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate is CCCCCOC(=O)Cn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of pentyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is FEODLFQIOZXXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4/c1-2-3-4-5-18-9(15)7-14-6-8(12)10(16)13-11(14)17/h6H,2-5,7H2,1H3,(H,13,16,17).
What are the key properties of pentyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
pentyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 258.25 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 3075295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).