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

C9H13FN2O3 — CID 112600425

IUPAC5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione
SMILESCCC(C)Cn1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H13FN2O3/c1-3-5(2)4-12-8(14)6(10)7(13)11-9(12)15/h5,14H,3-4H2,1-2H3,(H,11,13,15)
InChIKeyGRCACEIWXASHII-UHFFFAOYSA-N
MW216.21 g/mol
LogP0.43
Rot. Bonds3

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

5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione (PubChem CID 112600425) has the molecular formula C9H13FN2O3 and a molecular weight of 216.21 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione
PubChem CID112600425
Molecular FormulaC9H13FN2O3
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione
SMILESCCC(C)Cn1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H13FN2O3/c1-3-5(2)4-12-8(14)6(10)7(13)11-9(12)15/h5,14H,3-4H2,1-2H3,(H,11,13,15)
InChIKeyGRCACEIWXASHII-UHFFFAOYSA-N
XLogP0.43
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598288
5-fluoro-6-hydroxy-1-(2-methylpentan-3-yl)pyrimidine-2,4-dione
CID 112599740
5-fluoro-6-hydroxy-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione
CID 106006125
5-fluoro-6-hydroxy-1-(4-methoxybutyl)pyrimidine-2,4-dione
CID 112599755
5-fluoro-6-hydroxy-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione
CID 112601574
5-fluoro-6-hydroxy-1-[(1-methylsulfanylcyclobutyl)methyl]pyrimidine-2,4-dione
CID 114116688
5-fluoro-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione
CID 106222270
3-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea
CID 112601607
5-fluoro-6-hydroxy-1-[(4-methylthiophen-3-yl)methyl]pyrimidine-2,4-dione
CID 112601304
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112601153
1-[(1-cyclopropylcyclopropyl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 114095411
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112672331

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione (CID 112600425) is 5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione is CCC(C)Cn1c(O)c(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione?
The InChIKey is GRCACEIWXASHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O3/c1-3-5(2)4-12-8(14)6(10)7(13)11-9(12)15/h5,14H,3-4H2,1-2H3,(H,11,13,15).
What are the key properties of 5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione has a molecular weight of 216.21 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione is sourced from PubChem (CID 112600425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).