6-(4-methylphenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione

C18H16N2O2S — CID 10193344

IUPAC6-(4-methylphenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione
SMILESCSc1ccc(-n2c(-c3ccc(C)cc3)cc(=O)[nH]c2=O)cc1
InChIInChI=1S/C18H16N2O2S/c1-12-3-5-13(6-4-12)16-11-17(21)19-18(22)20(16)14-7-9-15(23-2)10-8-14/h3-11H,1-2H3,(H,19,21,22)
InChIKeyGMNFXBYTZVDDRP-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.22
Rot. Bonds3

About 6-(4-methylphenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione

6-(4-methylphenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione (PubChem CID 10193344) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 6-(4-methylphenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-methylphenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione
PubChem CID10193344
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name6-(4-methylphenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione
SMILESCSc1ccc(-n2c(-c3ccc(C)cc3)cc(=O)[nH]c2=O)cc1
InChIInChI=1S/C18H16N2O2S/c1-12-3-5-13(6-4-12)16-11-17(21)19-18(22)20(16)14-7-9-15(23-2)10-8-14/h3-11H,1-2H3,(H,19,21,22)
InChIKeyGMNFXBYTZVDDRP-UHFFFAOYSA-N
XLogP3.22
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-(4-methylphenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione (CID 10193344) is 6-(4-methylphenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-methylphenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-methylphenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione is CSc1ccc(-n2c(-c3ccc(C)cc3)cc(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-(4-methylphenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione?
The InChIKey is GMNFXBYTZVDDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-12-3-5-13(6-4-12)16-11-17(21)19-18(22)20(16)14-7-9-15(23-2)10-8-14/h3-11H,1-2H3,(H,19,21,22).
What are the key properties of 6-(4-methylphenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione?
6-(4-methylphenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione has a molecular weight of 324.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 10193344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).