5-fluoro-1-(4-hydroxy-3-methoxybutyl)pyrimidine-2,4-dione

C9H13FN2O4 — CID 155718727

IUPAC5-fluoro-1-(4-hydroxy-3-methoxybutyl)pyrimidine-2,4-dione
SMILESCOC(CO)CCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H13FN2O4/c1-16-6(5-13)2-3-12-4-7(10)8(14)11-9(12)15/h4,6,13H,2-3,5H2,1H3,(H,11,14,15)
InChIKeyHOEXVHKHOYKPGE-UHFFFAOYSA-N
MW232.21 g/mol
LogP-0.93
Rot. Bonds5

About 5-fluoro-1-(4-hydroxy-3-methoxybutyl)pyrimidine-2,4-dione

5-fluoro-1-(4-hydroxy-3-methoxybutyl)pyrimidine-2,4-dione (PubChem CID 155718727) has the molecular formula C9H13FN2O4 and a molecular weight of 232.21 g/mol. Its IUPAC name is 5-fluoro-1-(4-hydroxy-3-methoxybutyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(4-hydroxy-3-methoxybutyl)pyrimidine-2,4-dione
PubChem CID155718727
Molecular FormulaC9H13FN2O4
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC Name5-fluoro-1-(4-hydroxy-3-methoxybutyl)pyrimidine-2,4-dione
SMILESCOC(CO)CCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H13FN2O4/c1-16-6(5-13)2-3-12-4-7(10)8(14)11-9(12)15/h4,6,13H,2-3,5H2,1H3,(H,11,14,15)
InChIKeyHOEXVHKHOYKPGE-UHFFFAOYSA-N
XLogP-0.93
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(4-hydroxy-3-methoxybutyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(4-hydroxy-3-methoxybutyl)pyrimidine-2,4-dione (CID 155718727) is 5-fluoro-1-(4-hydroxy-3-methoxybutyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(4-hydroxy-3-methoxybutyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(4-hydroxy-3-methoxybutyl)pyrimidine-2,4-dione is COC(CO)CCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-(4-hydroxy-3-methoxybutyl)pyrimidine-2,4-dione?
The InChIKey is HOEXVHKHOYKPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O4/c1-16-6(5-13)2-3-12-4-7(10)8(14)11-9(12)15/h4,6,13H,2-3,5H2,1H3,(H,11,14,15).
What are the key properties of 5-fluoro-1-(4-hydroxy-3-methoxybutyl)pyrimidine-2,4-dione?
5-fluoro-1-(4-hydroxy-3-methoxybutyl)pyrimidine-2,4-dione has a molecular weight of 232.21 g/mol, XLogP of -0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(4-hydroxy-3-methoxybutyl)pyrimidine-2,4-dione is sourced from PubChem (CID 155718727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).