5-fluoro-6-hydroxy-1-(4-methoxybutyl)pyrimidine-2,4-dione

C9H13FN2O4 — CID 112599755

IUPAC5-fluoro-6-hydroxy-1-(4-methoxybutyl)pyrimidine-2,4-dione
SMILESCOCCCCn1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H13FN2O4/c1-16-5-3-2-4-12-8(14)6(10)7(13)11-9(12)15/h14H,2-5H2,1H3,(H,11,13,15)
InChIKeyJUHBLFCQNPQRIV-UHFFFAOYSA-N
MW232.21 g/mol
LogP-0.19
Rot. Bonds5

About 5-fluoro-6-hydroxy-1-(4-methoxybutyl)pyrimidine-2,4-dione

5-fluoro-6-hydroxy-1-(4-methoxybutyl)pyrimidine-2,4-dione (PubChem CID 112599755) has the molecular formula C9H13FN2O4 and a molecular weight of 232.21 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-(4-methoxybutyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-(4-methoxybutyl)pyrimidine-2,4-dione
PubChem CID112599755
Molecular FormulaC9H13FN2O4
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC Name5-fluoro-6-hydroxy-1-(4-methoxybutyl)pyrimidine-2,4-dione
SMILESCOCCCCn1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H13FN2O4/c1-16-5-3-2-4-12-8(14)6(10)7(13)11-9(12)15/h14H,2-5H2,1H3,(H,11,13,15)
InChIKeyJUHBLFCQNPQRIV-UHFFFAOYSA-N
XLogP-0.19
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 ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-6-hydroxy-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione
CID 106006125
6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione
CID 112599165
5-fluoro-6-hydroxy-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione
CID 112601574
5-fluoro-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione
CID 106222270
5-(3-fluorophenyl)-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione
CID 115946665
3-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea
CID 112601607
6-hydroxy-5-propan-2-yl-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione
CID 106006139
5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione
CID 112600425
5-fluoro-6-hydroxy-1-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4-dione
CID 112601033
5-fluoro-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione
CID 106106941
6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione
CID 112601536
3-(3-methoxypropyl)-7-methyl-2,6-dioxopurine-8-carboxylic acid
CID 82464324

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-(4-methoxybutyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-(4-methoxybutyl)pyrimidine-2,4-dione (CID 112599755) is 5-fluoro-6-hydroxy-1-(4-methoxybutyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-(4-methoxybutyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-(4-methoxybutyl)pyrimidine-2,4-dione is COCCCCn1c(O)c(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-6-hydroxy-1-(4-methoxybutyl)pyrimidine-2,4-dione?
The InChIKey is JUHBLFCQNPQRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O4/c1-16-5-3-2-4-12-8(14)6(10)7(13)11-9(12)15/h14H,2-5H2,1H3,(H,11,13,15).
What are the key properties of 5-fluoro-6-hydroxy-1-(4-methoxybutyl)pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-(4-methoxybutyl)pyrimidine-2,4-dione has a molecular weight of 232.21 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydroxy-1-(4-methoxybutyl)pyrimidine-2,4-dione is sourced from PubChem (CID 112599755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).