5-fluoro-1-(2-oxoheptyl)pyrimidine-2,4-dione

C11H15FN2O3 — CID 21155040

IUPAC5-fluoro-1-(2-oxoheptyl)pyrimidine-2,4-dione
SMILESCCCCCC(=O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H15FN2O3/c1-2-3-4-5-8(15)6-14-7-9(12)10(16)13-11(14)17/h7H,2-6H2,1H3,(H,13,16,17)
InChIKeyVFMOTPLKEGRUJN-UHFFFAOYSA-N
MW242.25 g/mol
LogP0.83
Rot. Bonds6

About 5-fluoro-1-(2-oxoheptyl)pyrimidine-2,4-dione

5-fluoro-1-(2-oxoheptyl)pyrimidine-2,4-dione (PubChem CID 21155040) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is 5-fluoro-1-(2-oxoheptyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(2-oxoheptyl)pyrimidine-2,4-dione
PubChem CID21155040
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Name5-fluoro-1-(2-oxoheptyl)pyrimidine-2,4-dione
SMILESCCCCCC(=O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H15FN2O3/c1-2-3-4-5-8(15)6-14-7-9(12)10(16)13-11(14)17/h7H,2-6H2,1H3,(H,13,16,17)
InChIKeyVFMOTPLKEGRUJN-UHFFFAOYSA-N
XLogP0.83
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-oxoheptyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(2-oxoheptyl)pyrimidine-2,4-dione (CID 21155040) is 5-fluoro-1-(2-oxoheptyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(2-oxoheptyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(2-oxoheptyl)pyrimidine-2,4-dione is CCCCCC(=O)Cn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-(2-oxoheptyl)pyrimidine-2,4-dione?
The InChIKey is VFMOTPLKEGRUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-2-3-4-5-8(15)6-14-7-9(12)10(16)13-11(14)17/h7H,2-6H2,1H3,(H,13,16,17).
What are the key properties of 5-fluoro-1-(2-oxoheptyl)pyrimidine-2,4-dione?
5-fluoro-1-(2-oxoheptyl)pyrimidine-2,4-dione has a molecular weight of 242.25 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-oxoheptyl)pyrimidine-2,4-dione is sourced from PubChem (CID 21155040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).