5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione

C8H12N2O2S — CID 20727875

IUPAC5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione
SMILESCSCCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O2S/c1-6-5-10(3-4-13-2)8(12)9-7(6)11/h5H,3-4H2,1-2H3,(H,9,11,12)
InChIKeyLIIIIILRSOPDPS-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.21
Rot. Bonds3

About 5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione

5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione (PubChem CID 20727875) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione
PubChem CID20727875
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione
SMILESCSCCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O2S/c1-6-5-10(3-4-13-2)8(12)9-7(6)11/h5H,3-4H2,1-2H3,(H,9,11,12)
InChIKeyLIIIIILRSOPDPS-UHFFFAOYSA-N
XLogP0.21
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione (CID 20727875) is 5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione is CSCCn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione?
The InChIKey is LIIIIILRSOPDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-6-5-10(3-4-13-2)8(12)9-7(6)11/h5H,3-4H2,1-2H3,(H,9,11,12).
What are the key properties of 5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione?
5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione has a molecular weight of 200.26 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 20727875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).