5-acetyl-3-(1-methylsulfonylpropan-2-yl)-1H-pyrimidine-2,4-dione

C10H14N2O5S — CID 80642783

IUPAC5-acetyl-3-(1-methylsulfonylpropan-2-yl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(C(C)CS(C)(=O)=O)c1=O
InChIInChI=1S/C10H14N2O5S/c1-6(5-18(3,16)17)12-9(14)8(7(2)13)4-11-10(12)15/h4,6H,5H2,1-3H3,(H,11,15)
InChIKeyCGDHPHDSIJTCED-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.66
Rot. Bonds4

About 5-acetyl-3-(1-methylsulfonylpropan-2-yl)-1H-pyrimidine-2,4-dione

5-acetyl-3-(1-methylsulfonylpropan-2-yl)-1H-pyrimidine-2,4-dione (PubChem CID 80642783) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is 5-acetyl-3-(1-methylsulfonylpropan-2-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-(1-methylsulfonylpropan-2-yl)-1H-pyrimidine-2,4-dione
PubChem CID80642783
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name5-acetyl-3-(1-methylsulfonylpropan-2-yl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(C(C)CS(C)(=O)=O)c1=O
InChIInChI=1S/C10H14N2O5S/c1-6(5-18(3,16)17)12-9(14)8(7(2)13)4-11-10(12)15/h4,6H,5H2,1-3H3,(H,11,15)
InChIKeyCGDHPHDSIJTCED-UHFFFAOYSA-N
XLogP-0.66
TPSA106.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(1-methylsulfonylpropan-2-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-(1-methylsulfonylpropan-2-yl)-1H-pyrimidine-2,4-dione (CID 80642783) is 5-acetyl-3-(1-methylsulfonylpropan-2-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-(1-methylsulfonylpropan-2-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-(1-methylsulfonylpropan-2-yl)-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(C(C)CS(C)(=O)=O)c1=O.
What is the InChIKey of 5-acetyl-3-(1-methylsulfonylpropan-2-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is CGDHPHDSIJTCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-6(5-18(3,16)17)12-9(14)8(7(2)13)4-11-10(12)15/h4,6H,5H2,1-3H3,(H,11,15).
What are the key properties of 5-acetyl-3-(1-methylsulfonylpropan-2-yl)-1H-pyrimidine-2,4-dione?
5-acetyl-3-(1-methylsulfonylpropan-2-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 274.30 g/mol, XLogP of -0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(1-methylsulfonylpropan-2-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80642783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).