(5-fluoro-2,4-dioxopyrimidin-1-yl) tetradecanoate

C18H29FN2O4 — CID 57314091

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl) tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)On1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C18H29FN2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(22)25-21-14-15(19)17(23)20-18(21)24/h14H,2-13H2,1H3,(H,20,23,24)
InChIKeyOGKIKNODALKAAF-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.33
Rot. Bonds13

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

(5-fluoro-2,4-dioxopyrimidin-1-yl) tetradecanoate (PubChem CID 57314091) has the molecular formula C18H29FN2O4 and a molecular weight of 356.44 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl) tetradecanoate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl) tetradecanoate
PubChem CID57314091
Molecular FormulaC18H29FN2O4
Molecular Weight356.44 g/mol
Exact Mass356.21
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl) tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)On1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C18H29FN2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(22)25-21-14-15(19)17(23)20-18(21)24/h14H,2-13H2,1H3,(H,20,23,24)
InChIKeyOGKIKNODALKAAF-UHFFFAOYSA-N
XLogP3.33
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5-fluoro-2,4-dioxopyrimidin-1-yl) tetradecanoate 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 (5-fluoro-2,4-dioxopyrimidin-1-yl) tetradecanoate?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl) tetradecanoate (CID 57314091) is (5-fluoro-2,4-dioxopyrimidin-1-yl) tetradecanoate.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl) tetradecanoate?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl) tetradecanoate is CCCCCCCCCCCCCC(=O)On1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl) tetradecanoate?
The InChIKey is OGKIKNODALKAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(22)25-21-14-15(19)17(23)20-18(21)24/h14H,2-13H2,1H3,(H,20,23,24).
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl) tetradecanoate?
(5-fluoro-2,4-dioxopyrimidin-1-yl) tetradecanoate has a molecular weight of 356.44 g/mol, XLogP of 3.33, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dioxopyrimidin-1-yl) tetradecanoate is sourced from PubChem (CID 57314091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).