[6-(5-fluoro-3-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate

C15H19FN2O5 — CID 169034314

IUPAC[6-(5-fluoro-3-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCC(=O)n1cc(F)c(=O)n(C)c1=O
InChIInChI=1S/C15H19FN2O5/c1-10(2)14(21)23-8-6-4-5-7-12(19)18-9-11(16)13(20)17(3)15(18)22/h9H,1,4-8H2,2-3H3
InChIKeyQLIPGWKPRWZXLK-UHFFFAOYSA-N
MW326.32 g/mol
LogP1.01
Rot. Bonds7

About [6-(5-fluoro-3-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate

[6-(5-fluoro-3-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate (PubChem CID 169034314) has the molecular formula C15H19FN2O5 and a molecular weight of 326.32 g/mol. Its IUPAC name is [6-(5-fluoro-3-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[6-(5-fluoro-3-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate
PubChem CID169034314
Molecular FormulaC15H19FN2O5
Molecular Weight326.32 g/mol
Exact Mass326.13
IUPAC Name[6-(5-fluoro-3-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCC(=O)n1cc(F)c(=O)n(C)c1=O
InChIInChI=1S/C15H19FN2O5/c1-10(2)14(21)23-8-6-4-5-7-12(19)18-9-11(16)13(20)17(3)15(18)22/h9H,1,4-8H2,2-3H3
InChIKeyQLIPGWKPRWZXLK-UHFFFAOYSA-N
XLogP1.01
TPSA87.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [6-(5-fluoro-3-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate 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 [6-(5-fluoro-3-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate?
The IUPAC name of [6-(5-fluoro-3-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate (CID 169034314) is [6-(5-fluoro-3-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [6-(5-fluoro-3-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [6-(5-fluoro-3-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCC(=O)n1cc(F)c(=O)n(C)c1=O.
What is the InChIKey of [6-(5-fluoro-3-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate?
The InChIKey is QLIPGWKPRWZXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O5/c1-10(2)14(21)23-8-6-4-5-7-12(19)18-9-11(16)13(20)17(3)15(18)22/h9H,1,4-8H2,2-3H3.
What are the key properties of [6-(5-fluoro-3-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate?
[6-(5-fluoro-3-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate has a molecular weight of 326.32 g/mol, XLogP of 1.01, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-fluoro-3-methyl-2,4-dioxopyrimidin-1-yl)-6-oxohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 169034314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).