1,3-dimethyl-5-(2-methylsulfonylpropanoyl)pyrimidine-2,4-dione

C10H14N2O5S — CID 104518019

IUPAC1,3-dimethyl-5-(2-methylsulfonylpropanoyl)pyrimidine-2,4-dione
SMILESCC(C(=O)c1cn(C)c(=O)n(C)c1=O)S(C)(=O)=O
InChIInChI=1S/C10H14N2O5S/c1-6(18(4,16)17)8(13)7-5-11(2)10(15)12(3)9(7)14/h5-6H,1-4H3
InChIKeyFCEJQTWTZOXTEG-UHFFFAOYSA-N
MW274.30 g/mol
LogP-1.30
Rot. Bonds3

About 1,3-dimethyl-5-(2-methylsulfonylpropanoyl)pyrimidine-2,4-dione

1,3-dimethyl-5-(2-methylsulfonylpropanoyl)pyrimidine-2,4-dione (PubChem CID 104518019) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-methylsulfonylpropanoyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-methylsulfonylpropanoyl)pyrimidine-2,4-dione
PubChem CID104518019
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name1,3-dimethyl-5-(2-methylsulfonylpropanoyl)pyrimidine-2,4-dione
SMILESCC(C(=O)c1cn(C)c(=O)n(C)c1=O)S(C)(=O)=O
InChIInChI=1S/C10H14N2O5S/c1-6(18(4,16)17)8(13)7-5-11(2)10(15)12(3)9(7)14/h5-6H,1-4H3
InChIKeyFCEJQTWTZOXTEG-UHFFFAOYSA-N
XLogP-1.30
TPSA95.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-1.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2-methylsulfonylpropanoyl)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-(2-methylsulfonylpropanoyl)pyrimidine-2,4-dione (CID 104518019) is 1,3-dimethyl-5-(2-methylsulfonylpropanoyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-(2-methylsulfonylpropanoyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-(2-methylsulfonylpropanoyl)pyrimidine-2,4-dione is CC(C(=O)c1cn(C)c(=O)n(C)c1=O)S(C)(=O)=O.
What is the InChIKey of 1,3-dimethyl-5-(2-methylsulfonylpropanoyl)pyrimidine-2,4-dione?
The InChIKey is FCEJQTWTZOXTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-6(18(4,16)17)8(13)7-5-11(2)10(15)12(3)9(7)14/h5-6H,1-4H3.
What are the key properties of 1,3-dimethyl-5-(2-methylsulfonylpropanoyl)pyrimidine-2,4-dione?
1,3-dimethyl-5-(2-methylsulfonylpropanoyl)pyrimidine-2,4-dione has a molecular weight of 274.30 g/mol, XLogP of -1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-methylsulfonylpropanoyl)pyrimidine-2,4-dione is sourced from PubChem (CID 104518019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).