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

C11H16N2O5S — CID 80643359

IUPAC5-acetyl-3-(2-methyl-2-methylsulfonylpropyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(CC(C)(C)S(C)(=O)=O)c1=O
InChIInChI=1S/C11H16N2O5S/c1-7(14)8-5-12-10(16)13(9(8)15)6-11(2,3)19(4,17)18/h5H,6H2,1-4H3,(H,12,16)
InChIKeyOSOWUWJLHDOOHX-UHFFFAOYSA-N
MW288.32 g/mol
LogP-0.44
Rot. Bonds4

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

5-acetyl-3-(2-methyl-2-methylsulfonylpropyl)-1H-pyrimidine-2,4-dione (PubChem CID 80643359) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 5-acetyl-3-(2-methyl-2-methylsulfonylpropyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-(2-methyl-2-methylsulfonylpropyl)-1H-pyrimidine-2,4-dione
PubChem CID80643359
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name5-acetyl-3-(2-methyl-2-methylsulfonylpropyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(CC(C)(C)S(C)(=O)=O)c1=O
InChIInChI=1S/C11H16N2O5S/c1-7(14)8-5-12-10(16)13(9(8)15)6-11(2,3)19(4,17)18/h5H,6H2,1-4H3,(H,12,16)
InChIKeyOSOWUWJLHDOOHX-UHFFFAOYSA-N
XLogP-0.44
TPSA106.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(2-methyl-2-methylsulfonylpropyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-(2-methyl-2-methylsulfonylpropyl)-1H-pyrimidine-2,4-dione (CID 80643359) is 5-acetyl-3-(2-methyl-2-methylsulfonylpropyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-(2-methyl-2-methylsulfonylpropyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-(2-methyl-2-methylsulfonylpropyl)-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(CC(C)(C)S(C)(=O)=O)c1=O.
What is the InChIKey of 5-acetyl-3-(2-methyl-2-methylsulfonylpropyl)-1H-pyrimidine-2,4-dione?
The InChIKey is OSOWUWJLHDOOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-7(14)8-5-12-10(16)13(9(8)15)6-11(2,3)19(4,17)18/h5H,6H2,1-4H3,(H,12,16).
What are the key properties of 5-acetyl-3-(2-methyl-2-methylsulfonylpropyl)-1H-pyrimidine-2,4-dione?
5-acetyl-3-(2-methyl-2-methylsulfonylpropyl)-1H-pyrimidine-2,4-dione has a molecular weight of 288.32 g/mol, XLogP of -0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(2-methyl-2-methylsulfonylpropyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80643359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).