6-(3-ethyl-5-fluoro-2,4-dioxopyrimidin-1-yl)hexyl prop-2-enoate

C15H21FN2O4 — CID 166946378

IUPAC6-(3-ethyl-5-fluoro-2,4-dioxopyrimidin-1-yl)hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCn1cc(F)c(=O)n(CC)c1=O
InChIInChI=1S/C15H21FN2O4/c1-3-13(19)22-10-8-6-5-7-9-17-11-12(16)14(20)18(4-2)15(17)21/h3,11H,1,4-10H2,2H3
InChIKeyIDDHETQGAPSCNQ-UHFFFAOYSA-N
MW312.34 g/mol
LogP1.46
Rot. Bonds9

About 6-(3-ethyl-5-fluoro-2,4-dioxopyrimidin-1-yl)hexyl prop-2-enoate

6-(3-ethyl-5-fluoro-2,4-dioxopyrimidin-1-yl)hexyl prop-2-enoate (PubChem CID 166946378) has the molecular formula C15H21FN2O4 and a molecular weight of 312.34 g/mol. Its IUPAC name is 6-(3-ethyl-5-fluoro-2,4-dioxopyrimidin-1-yl)hexyl prop-2-enoate.

Molecular Properties

Compound Name6-(3-ethyl-5-fluoro-2,4-dioxopyrimidin-1-yl)hexyl prop-2-enoate
PubChem CID166946378
Molecular FormulaC15H21FN2O4
Molecular Weight312.34 g/mol
Exact Mass312.15
IUPAC Name6-(3-ethyl-5-fluoro-2,4-dioxopyrimidin-1-yl)hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCn1cc(F)c(=O)n(CC)c1=O
InChIInChI=1S/C15H21FN2O4/c1-3-13(19)22-10-8-6-5-7-9-17-11-12(16)14(20)18(4-2)15(17)21/h3,11H,1,4-10H2,2H3
InChIKeyIDDHETQGAPSCNQ-UHFFFAOYSA-N
XLogP1.46
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(3-ethyl-5-fluoro-2,4-dioxopyrimidin-1-yl)hexyl prop-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

Related Compounds

6-[3-ethyl-5-fluoro-2,4-bis(sulfanylidene)pyrimidin-1-yl]hexyl prop-2-enoate
CID 169034461
6-(3-ethyl-4-oxo-2-sulfanylidenepyrimidin-1-yl)hexyl prop-2-enoate
CID 169034529
5-fluoro-1,3-dihexadecylpyrimidine-2,4-dione
CID 15579797
methyl 12-[5-fluoro-3-(12-methoxy-12-oxododecyl)-2,4-dioxopyrimidin-1-yl]dodecanoate
CID 11664031
6-(3-ethyl-5-fluoro-2,6-dioxopyrimidin-1-yl)hexyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 170125933
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
decyl prop-2-enoate
CID 162172023
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-5-fluoro-2,4-dioxopyrimidin-1-yl)hexyl prop-2-enoate?
The IUPAC name of 6-(3-ethyl-5-fluoro-2,4-dioxopyrimidin-1-yl)hexyl prop-2-enoate (CID 166946378) is 6-(3-ethyl-5-fluoro-2,4-dioxopyrimidin-1-yl)hexyl prop-2-enoate.
What is the SMILES notation for 6-(3-ethyl-5-fluoro-2,4-dioxopyrimidin-1-yl)hexyl prop-2-enoate?
The canonical SMILES for 6-(3-ethyl-5-fluoro-2,4-dioxopyrimidin-1-yl)hexyl prop-2-enoate is C=CC(=O)OCCCCCCn1cc(F)c(=O)n(CC)c1=O.
What is the InChIKey of 6-(3-ethyl-5-fluoro-2,4-dioxopyrimidin-1-yl)hexyl prop-2-enoate?
The InChIKey is IDDHETQGAPSCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4/c1-3-13(19)22-10-8-6-5-7-9-17-11-12(16)14(20)18(4-2)15(17)21/h3,11H,1,4-10H2,2H3.
What are the key properties of 6-(3-ethyl-5-fluoro-2,4-dioxopyrimidin-1-yl)hexyl prop-2-enoate?
6-(3-ethyl-5-fluoro-2,4-dioxopyrimidin-1-yl)hexyl prop-2-enoate has a molecular weight of 312.34 g/mol, XLogP of 1.46, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-5-fluoro-2,4-dioxopyrimidin-1-yl)hexyl prop-2-enoate is sourced from PubChem (CID 166946378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).