5-fluoro-6-hydroxy-1-[(1-methylsulfanylcyclobutyl)methyl]pyrimidine-2,4-dione

C10H13FN2O3S — CID 114116688

IUPAC5-fluoro-6-hydroxy-1-[(1-methylsulfanylcyclobutyl)methyl]pyrimidine-2,4-dione
SMILESCSC1(Cn2c(O)c(F)c(=O)[nH]c2=O)CCC1
InChIInChI=1S/C10H13FN2O3S/c1-17-10(3-2-4-10)5-13-8(15)6(11)7(14)12-9(13)16/h15H,2-5H2,1H3,(H,12,14,16)
InChIKeyJEBDEZBAHXTLFF-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.67
Rot. Bonds3

About 5-fluoro-6-hydroxy-1-[(1-methylsulfanylcyclobutyl)methyl]pyrimidine-2,4-dione

5-fluoro-6-hydroxy-1-[(1-methylsulfanylcyclobutyl)methyl]pyrimidine-2,4-dione (PubChem CID 114116688) has the molecular formula C10H13FN2O3S and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-[(1-methylsulfanylcyclobutyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-[(1-methylsulfanylcyclobutyl)methyl]pyrimidine-2,4-dione
PubChem CID114116688
Molecular FormulaC10H13FN2O3S
Molecular Weight260.29 g/mol
Exact Mass260.06
IUPAC Name5-fluoro-6-hydroxy-1-[(1-methylsulfanylcyclobutyl)methyl]pyrimidine-2,4-dione
SMILESCSC1(Cn2c(O)c(F)c(=O)[nH]c2=O)CCC1
InChIInChI=1S/C10H13FN2O3S/c1-17-10(3-2-4-10)5-13-8(15)6(11)7(14)12-9(13)16/h15H,2-5H2,1H3,(H,12,14,16)
InChIKeyJEBDEZBAHXTLFF-UHFFFAOYSA-N
XLogP0.67
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-cyclopropylcyclopropyl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 114095411
5-fluoro-6-hydroxy-1-(1-methylcyclopentyl)pyrimidine-2,4-dione
CID 112601041
5-fluoro-6-hydroxy-1-(1-methylcyclohexyl)pyrimidine-2,4-dione
CID 112600139
5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione
CID 112600425
3-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea
CID 112601607
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-pent-4-ynylpyrimidine-2,4-dione
CID 106222270
5-fluoro-6-hydroxy-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione
CID 106006125
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-[(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-[(1-methylsulfanylcyclobutyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-[(1-methylsulfanylcyclobutyl)methyl]pyrimidine-2,4-dione (CID 114116688) is 5-fluoro-6-hydroxy-1-[(1-methylsulfanylcyclobutyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-[(1-methylsulfanylcyclobutyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-[(1-methylsulfanylcyclobutyl)methyl]pyrimidine-2,4-dione is CSC1(Cn2c(O)c(F)c(=O)[nH]c2=O)CCC1.
What is the InChIKey of 5-fluoro-6-hydroxy-1-[(1-methylsulfanylcyclobutyl)methyl]pyrimidine-2,4-dione?
The InChIKey is JEBDEZBAHXTLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3S/c1-17-10(3-2-4-10)5-13-8(15)6(11)7(14)12-9(13)16/h15H,2-5H2,1H3,(H,12,14,16).
What are the key properties of 5-fluoro-6-hydroxy-1-[(1-methylsulfanylcyclobutyl)methyl]pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-[(1-methylsulfanylcyclobutyl)methyl]pyrimidine-2,4-dione has a molecular weight of 260.29 g/mol, XLogP of 0.67, 3 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-methylsulfanylcyclobutyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 114116688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).