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

C10H15FN2O3 — CID 112599740

IUPAC5-fluoro-6-hydroxy-1-(2-methylpentan-3-yl)pyrimidine-2,4-dione
SMILESCCC(C(C)C)n1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H15FN2O3/c1-4-6(5(2)3)13-9(15)7(11)8(14)12-10(13)16/h5-6,15H,4H2,1-3H3,(H,12,14,16)
InChIKeyFMGCMUPYZILFIB-UHFFFAOYSA-N
MW230.24 g/mol
LogP0.99
Rot. Bonds3

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

5-fluoro-6-hydroxy-1-(2-methylpentan-3-yl)pyrimidine-2,4-dione (PubChem CID 112599740) has the molecular formula C10H15FN2O3 and a molecular weight of 230.24 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-(2-methylpentan-3-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-(2-methylpentan-3-yl)pyrimidine-2,4-dione
PubChem CID112599740
Molecular FormulaC10H15FN2O3
Molecular Weight230.24 g/mol
Exact Mass230.11
IUPAC Name5-fluoro-6-hydroxy-1-(2-methylpentan-3-yl)pyrimidine-2,4-dione
SMILESCCC(C(C)C)n1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H15FN2O3/c1-4-6(5(2)3)13-9(15)7(11)8(14)12-10(13)16/h5-6,15H,4H2,1-3H3,(H,12,14,16)
InChIKeyFMGCMUPYZILFIB-UHFFFAOYSA-N
XLogP0.99
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 50.99
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-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4-dione
CID 112601033
5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione
CID 112600425
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
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112600101
6-hydroxy-5-methyl-1-(3-methylpentan-2-yl)pyrimidine-2,4-dione
CID 112600179
1-tert-butyl-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598735
5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione
CID 112598462
1-(1-cyclopropylethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599311
1-(1-ethylpiperidin-3-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112599825
5-fluoro-6-hydroxy-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione
CID 106006125

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-(2-methylpentan-3-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-(2-methylpentan-3-yl)pyrimidine-2,4-dione (CID 112599740) is 5-fluoro-6-hydroxy-1-(2-methylpentan-3-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-(2-methylpentan-3-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-(2-methylpentan-3-yl)pyrimidine-2,4-dione is CCC(C(C)C)n1c(O)c(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-6-hydroxy-1-(2-methylpentan-3-yl)pyrimidine-2,4-dione?
The InChIKey is FMGCMUPYZILFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3/c1-4-6(5(2)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-(2-methylpentan-3-yl)pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-(2-methylpentan-3-yl)pyrimidine-2,4-dione has a molecular weight of 230.24 g/mol, XLogP of 0.99, 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-methylpentan-3-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 112599740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).