5-fluoro-1-[methylsulfanyl(phenyl)methyl]pyrimidine-2,4-dione

C12H11FN2O2S — CID 70613721

IUPAC5-fluoro-1-[methylsulfanyl(phenyl)methyl]pyrimidine-2,4-dione
SMILESCSC(c1ccccc1)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H11FN2O2S/c1-18-11(8-5-3-2-4-6-8)15-7-9(13)10(16)14-12(15)17/h2-7,11H,1H3,(H,14,16,17)
InChIKeyMQMCZWLREQUFSY-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.59
Rot. Bonds3

About 5-fluoro-1-[methylsulfanyl(phenyl)methyl]pyrimidine-2,4-dione

5-fluoro-1-[methylsulfanyl(phenyl)methyl]pyrimidine-2,4-dione (PubChem CID 70613721) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-fluoro-1-[methylsulfanyl(phenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[methylsulfanyl(phenyl)methyl]pyrimidine-2,4-dione
PubChem CID70613721
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name5-fluoro-1-[methylsulfanyl(phenyl)methyl]pyrimidine-2,4-dione
SMILESCSC(c1ccccc1)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H11FN2O2S/c1-18-11(8-5-3-2-4-6-8)15-7-9(13)10(16)14-12(15)17/h2-7,11H,1H3,(H,14,16,17)
InChIKeyMQMCZWLREQUFSY-UHFFFAOYSA-N
XLogP1.59
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[methylsulfanyl(phenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[methylsulfanyl(phenyl)methyl]pyrimidine-2,4-dione (CID 70613721) is 5-fluoro-1-[methylsulfanyl(phenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[methylsulfanyl(phenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[methylsulfanyl(phenyl)methyl]pyrimidine-2,4-dione is CSC(c1ccccc1)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-[methylsulfanyl(phenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is MQMCZWLREQUFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-18-11(8-5-3-2-4-6-8)15-7-9(13)10(16)14-12(15)17/h2-7,11H,1H3,(H,14,16,17).
What are the key properties of 5-fluoro-1-[methylsulfanyl(phenyl)methyl]pyrimidine-2,4-dione?
5-fluoro-1-[methylsulfanyl(phenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 266.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[methylsulfanyl(phenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 70613721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).