5-acetyl-3-methyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione

C11H16N2O5S — CID 80643362

IUPAC5-acetyl-3-methyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione
SMILESCC(=O)c1cn(CCCS(C)(=O)=O)c(=O)n(C)c1=O
InChIInChI=1S/C11H16N2O5S/c1-8(14)9-7-13(5-4-6-19(3,17)18)11(16)12(2)10(9)15/h7H,4-6H2,1-3H3
InChIKeyNFJOPZUQLBBIKP-UHFFFAOYSA-N
MW288.32 g/mol
LogP-0.82
Rot. Bonds5

About 5-acetyl-3-methyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione

5-acetyl-3-methyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione (PubChem CID 80643362) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 5-acetyl-3-methyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-methyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione
PubChem CID80643362
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name5-acetyl-3-methyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione
SMILESCC(=O)c1cn(CCCS(C)(=O)=O)c(=O)n(C)c1=O
InChIInChI=1S/C11H16N2O5S/c1-8(14)9-7-13(5-4-6-19(3,17)18)11(16)12(2)10(9)15/h7H,4-6H2,1-3H3
InChIKeyNFJOPZUQLBBIKP-UHFFFAOYSA-N
XLogP-0.82
TPSA95.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-methyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-methyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione (CID 80643362) is 5-acetyl-3-methyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-methyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-methyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione is CC(=O)c1cn(CCCS(C)(=O)=O)c(=O)n(C)c1=O.
What is the InChIKey of 5-acetyl-3-methyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione?
The InChIKey is NFJOPZUQLBBIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-8(14)9-7-13(5-4-6-19(3,17)18)11(16)12(2)10(9)15/h7H,4-6H2,1-3H3.
What are the key properties of 5-acetyl-3-methyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione?
5-acetyl-3-methyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione has a molecular weight of 288.32 g/mol, XLogP of -0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-methyl-1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 80643362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).