5-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione

C10H9FN4O2S — CID 719067

IUPAC5-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione
SMILESCSc1nc(C)cc(-n2cc(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C10H9FN4O2S/c1-5-3-7(13-9(12-5)18-2)15-4-6(11)8(16)14-10(15)17/h3-4H,1-2H3,(H,14,16,17)
InChIKeyLCBRQPNJCIVZQG-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.49
Rot. Bonds2

About 5-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione

5-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione (PubChem CID 719067) has the molecular formula C10H9FN4O2S and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione
PubChem CID719067
Molecular FormulaC10H9FN4O2S
Molecular Weight268.27 g/mol
Exact Mass268.04
IUPAC Name5-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione
SMILESCSc1nc(C)cc(-n2cc(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C10H9FN4O2S/c1-5-3-7(13-9(12-5)18-2)15-4-6(11)8(16)14-10(15)17/h3-4H,1-2H3,(H,14,16,17)
InChIKeyLCBRQPNJCIVZQG-UHFFFAOYSA-N
XLogP0.49
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione (CID 719067) is 5-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione is CSc1nc(C)cc(-n2cc(F)c(=O)[nH]c2=O)n1.
What is the InChIKey of 5-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione?
The InChIKey is LCBRQPNJCIVZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2S/c1-5-3-7(13-9(12-5)18-2)15-4-6(11)8(16)14-10(15)17/h3-4H,1-2H3,(H,14,16,17).
What are the key properties of 5-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione?
5-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione has a molecular weight of 268.27 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 719067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).