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

C11H17FN2O4 — CID 106006125

IUPAC5-fluoro-6-hydroxy-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione
SMILESCC(C)OCCCCn1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H17FN2O4/c1-7(2)18-6-4-3-5-14-10(16)8(12)9(15)13-11(14)17/h7,16H,3-6H2,1-2H3,(H,13,15,17)
InChIKeyZGDDNNHFSDLPTL-UHFFFAOYSA-N
MW260.26 g/mol
LogP0.59
Rot. Bonds6

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

5-fluoro-6-hydroxy-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione (PubChem CID 106006125) has the molecular formula C11H17FN2O4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione
PubChem CID106006125
Molecular FormulaC11H17FN2O4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name5-fluoro-6-hydroxy-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione
SMILESCC(C)OCCCCn1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H17FN2O4/c1-7(2)18-6-4-3-5-14-10(16)8(12)9(15)13-11(14)17/h7,16H,3-6H2,1-2H3,(H,13,15,17)
InChIKeyZGDDNNHFSDLPTL-UHFFFAOYSA-N
XLogP0.59
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 50.59
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

6-hydroxy-5-propan-2-yl-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione
CID 106006139
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-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione
CID 112600425
6-hydroxy-5-phenyl-1-(2-propan-2-yloxyethyl)pyrimidine-2,4-dione
CID 104767898
3-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea
CID 112601607
6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione
CID 112599165
5-fluoro-6-hydroxy-1-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4-dione
CID 112601033
1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598288
6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione
CID 112601536
6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione
CID 112601451
5-fluoro-6-hydroxy-1-(2-methylpentan-3-yl)pyrimidine-2,4-dione
CID 112599740

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione (CID 106006125) is 5-fluoro-6-hydroxy-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione is CC(C)OCCCCn1c(O)c(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-6-hydroxy-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione?
The InChIKey is ZGDDNNHFSDLPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O4/c1-7(2)18-6-4-3-5-14-10(16)8(12)9(15)13-11(14)17/h7,16H,3-6H2,1-2H3,(H,13,15,17).
What are the key properties of 5-fluoro-6-hydroxy-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione has a molecular weight of 260.26 g/mol, XLogP of 0.59, 6 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-propan-2-yloxybutyl)pyrimidine-2,4-dione is sourced from PubChem (CID 106006125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).