5-ethyl-1-(3-methyl-2-oxobutyl)pyrimidine-2,4-dione

C11H16N2O3 — CID 79395673

IUPAC5-ethyl-1-(3-methyl-2-oxobutyl)pyrimidine-2,4-dione
SMILESCCc1cn(CC(=O)C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-4-8-5-13(6-9(14)7(2)3)11(16)12-10(8)15/h5,7H,4,6H2,1-3H3,(H,12,15,16)
InChIKeyVPGRYBOQHHGTOA-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.32
Rot. Bonds4

About 5-ethyl-1-(3-methyl-2-oxobutyl)pyrimidine-2,4-dione

5-ethyl-1-(3-methyl-2-oxobutyl)pyrimidine-2,4-dione (PubChem CID 79395673) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-ethyl-1-(3-methyl-2-oxobutyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-(3-methyl-2-oxobutyl)pyrimidine-2,4-dione
PubChem CID79395673
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name5-ethyl-1-(3-methyl-2-oxobutyl)pyrimidine-2,4-dione
SMILESCCc1cn(CC(=O)C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-4-8-5-13(6-9(14)7(2)3)11(16)12-10(8)15/h5,7H,4,6H2,1-3H3,(H,12,15,16)
InChIKeyVPGRYBOQHHGTOA-UHFFFAOYSA-N
XLogP0.32
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(3-methyl-2-oxobutyl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-(3-methyl-2-oxobutyl)pyrimidine-2,4-dione (CID 79395673) is 5-ethyl-1-(3-methyl-2-oxobutyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-(3-methyl-2-oxobutyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-(3-methyl-2-oxobutyl)pyrimidine-2,4-dione is CCc1cn(CC(=O)C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-(3-methyl-2-oxobutyl)pyrimidine-2,4-dione?
The InChIKey is VPGRYBOQHHGTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-8-5-13(6-9(14)7(2)3)11(16)12-10(8)15/h5,7H,4,6H2,1-3H3,(H,12,15,16).
What are the key properties of 5-ethyl-1-(3-methyl-2-oxobutyl)pyrimidine-2,4-dione?
5-ethyl-1-(3-methyl-2-oxobutyl)pyrimidine-2,4-dione has a molecular weight of 224.26 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(3-methyl-2-oxobutyl)pyrimidine-2,4-dione is sourced from PubChem (CID 79395673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).