5-fluoro-1H-pyrimidine-2,4-dione;hexadecanoic acid

C20H35FN2O4 — CID 67724467

IUPAC5-fluoro-1H-pyrimidine-2,4-dione;hexadecanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)O.O=c1[nH]cc(F)c(=O)[nH]1
InChIInChI=1S/C16H32O2.C4H3FN2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;5-2-1-6-4(9)7-3(2)8/h2-15H2,1H3,(H,17,18);1H,(H2,6,7,8,9)
InChIKeyDAGTYOAEYKEZLK-UHFFFAOYSA-N
MW386.51 g/mol
LogP4.75
Rot. Bonds14

About 5-fluoro-1H-pyrimidine-2,4-dione;hexadecanoic acid

5-fluoro-1H-pyrimidine-2,4-dione;hexadecanoic acid (PubChem CID 67724467) has the molecular formula C20H35FN2O4 and a molecular weight of 386.51 g/mol. Its IUPAC name is 5-fluoro-1H-pyrimidine-2,4-dione;hexadecanoic acid.

Molecular Properties

Compound Name5-fluoro-1H-pyrimidine-2,4-dione;hexadecanoic acid
PubChem CID67724467
Molecular FormulaC20H35FN2O4
Molecular Weight386.51 g/mol
Exact Mass386.26
IUPAC Name5-fluoro-1H-pyrimidine-2,4-dione;hexadecanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)O.O=c1[nH]cc(F)c(=O)[nH]1
InChIInChI=1S/C16H32O2.C4H3FN2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;5-2-1-6-4(9)7-3(2)8/h2-15H2,1H3,(H,17,18);1H,(H2,6,7,8,9)
InChIKeyDAGTYOAEYKEZLK-UHFFFAOYSA-N
XLogP4.75
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.51
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Fluorouracil-stearic acid
CID 168475782
(5-Fluoro-2,4-dioxopyrimidin-1-yl)methyl decanoate
CID 10448348
(5-Fluoro-2,4-dioxopyrimidin-1-yl)methyl octanoate
CID 10469223
(5-Fluoro-2,4-dioxopyrimidin-1-yl)methyl heptanoate
CID 13014276
1-Lauroyloxymethyl-5-fluorouracil
CID 13014281
(5-Fluoro-2,4-dioxopyrimidin-1-yl)methyl hexadecanoate
CID 13014289
(5-Fluoro-2,4-dioxopyrimidin-1-yl) hexadecanoate
CID 57202966
(5-Fluoro-2,4-dioxopyrimidin-1-yl) tetradecanoate
CID 57314091
bis(5-fluoro-1H-pyrimidine-2,4-dione);hexanedioic acid;dihydrate
CID 139205177
(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl octanoate
CID 10859087
(5-Fluoro-2,4-dioxo-pyrimidin-1-yl)methyl octadecanoate
CID 13870838
Methyl 11-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]undecanoate
CID 101594216

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-pyrimidine-2,4-dione;hexadecanoic acid?
The IUPAC name of 5-fluoro-1H-pyrimidine-2,4-dione;hexadecanoic acid (CID 67724467) is 5-fluoro-1H-pyrimidine-2,4-dione;hexadecanoic acid.
What is the SMILES notation for 5-fluoro-1H-pyrimidine-2,4-dione;hexadecanoic acid?
The canonical SMILES for 5-fluoro-1H-pyrimidine-2,4-dione;hexadecanoic acid is CCCCCCCCCCCCCCCC(=O)O.O=c1[nH]cc(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-1H-pyrimidine-2,4-dione;hexadecanoic acid?
The InChIKey is DAGTYOAEYKEZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2.C4H3FN2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;5-2-1-6-4(9)7-3(2)8/h2-15H2,1H3,(H,17,18);1H,(H2,6,7,8,9).
What are the key properties of 5-fluoro-1H-pyrimidine-2,4-dione;hexadecanoic acid?
5-fluoro-1H-pyrimidine-2,4-dione;hexadecanoic acid has a molecular weight of 386.51 g/mol, XLogP of 4.75, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-pyrimidine-2,4-dione;hexadecanoic acid is sourced from PubChem (CID 67724467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).