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

C10H13FN2O4 — CID 55027812

IUPACbutyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
SMILESCCCCOC(=O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H13FN2O4/c1-2-3-4-17-8(14)6-13-5-7(11)9(15)12-10(13)16/h5H,2-4,6H2,1H3,(H,12,15,16)
InChIKeyZACRBLQDJXGFFA-UHFFFAOYSA-N
MW244.22 g/mol
LogP0.02
Rot. Bonds5

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

butyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 55027812) has the molecular formula C10H13FN2O4 and a molecular weight of 244.22 g/mol. Its IUPAC name is butyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Namebutyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
PubChem CID55027812
Molecular FormulaC10H13FN2O4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Namebutyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
SMILESCCCCOC(=O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H13FN2O4/c1-2-3-4-17-8(14)6-13-5-7(11)9(15)12-10(13)16/h5H,2-4,6H2,1H3,(H,12,15,16)
InChIKeyZACRBLQDJXGFFA-UHFFFAOYSA-N
XLogP0.02
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze butyl 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 butyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of butyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate (CID 55027812) is butyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for butyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for butyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate is CCCCOC(=O)Cn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of butyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is ZACRBLQDJXGFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4/c1-2-3-4-17-8(14)6-13-5-7(11)9(15)12-10(13)16/h5H,2-4,6H2,1H3,(H,12,15,16).
What are the key properties of butyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
butyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 244.22 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 55027812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).