5-fluoro-6-hydroxy-1-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4-dione

C10H15FN2O4 — CID 112601033

IUPAC5-fluoro-6-hydroxy-1-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4-dione
SMILESCOCC(C(C)C)n1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H15FN2O4/c1-5(2)6(4-17-3)13-9(15)7(11)8(14)12-10(13)16/h5-6,15H,4H2,1-3H3,(H,12,14,16)
InChIKeyBHMZOIODEUUQLX-UHFFFAOYSA-N
MW246.24 g/mol
LogP0.22
Rot. Bonds4

About 5-fluoro-6-hydroxy-1-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4-dione

5-fluoro-6-hydroxy-1-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4-dione (PubChem CID 112601033) has the molecular formula C10H15FN2O4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4-dione
PubChem CID112601033
Molecular FormulaC10H15FN2O4
Molecular Weight246.24 g/mol
Exact Mass246.10
IUPAC Name5-fluoro-6-hydroxy-1-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4-dione
SMILESCOCC(C(C)C)n1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H15FN2O4/c1-5(2)6(4-17-3)13-9(15)7(11)8(14)12-10(13)16/h5-6,15H,4H2,1-3H3,(H,12,14,16)
InChIKeyBHMZOIODEUUQLX-UHFFFAOYSA-N
XLogP0.22
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-6-hydroxy-1-(2-methylpentan-3-yl)pyrimidine-2,4-dione
CID 112599740
1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598288
5-fluoro-6-hydroxy-1-(4-methoxybutyl)pyrimidine-2,4-dione
CID 112599755
5-fluoro-6-hydroxy-1-(1-pyridin-4-ylethyl)pyrimidine-2,4-dione
CID 112599316
5-fluoro-6-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-dione
CID 112599840
5-fluoro-6-hydroxy-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione
CID 106006125
5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione
CID 112600425
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112600101
5-(4-chlorophenyl)-6-hydroxy-1-(1-methoxypropan-2-yl)pyrimidine-2,4-dione
CID 115946316
5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 112598223
1-tert-butyl-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598735
4,5-difluoro-3-(1-methoxy-3-methylbutan-2-yl)-1H-benzimidazole-2-thione
CID 65047965

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4-dione (CID 112601033) is 5-fluoro-6-hydroxy-1-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4-dione is COCC(C(C)C)n1c(O)c(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-6-hydroxy-1-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4-dione?
The InChIKey is BHMZOIODEUUQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O4/c1-5(2)6(4-17-3)13-9(15)7(11)8(14)12-10(13)16/h5-6,15H,4H2,1-3H3,(H,12,14,16).
What are the key properties of 5-fluoro-6-hydroxy-1-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4-dione has a molecular weight of 246.24 g/mol, XLogP of 0.22, 4 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-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 112601033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).