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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Isopropyluracil
CID 98575
5-acetyl-1-allyl-2,4(1H,3H)-pyrimidinedione
CID 1484302
5-Acetyl-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 71755660
pyrimidine-2,4(1H,3H)-dione, 5-tert-butyl-1-methyl-
CID 68250687
5-acetyl-1-isopentylpyrimidine-2,4(1H,3H)-dione
CID 901795
5-methyl-1-[(E)-3-oxobut-1-enyl]pyrimidine-2,4-dione
CID 44385371
[2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-oxoethyl]-trimethylazanium bromide
CID 90677959
5-acetyl-1-methyl-2,4(1H,3H)-pyrimidinedione
CID 1483607
pyrimidine-2,4(1H,3H)-dione, 5-tert-butyl-3-methyl-
CID 130005195
5-Methyl-1-(2-oxopropyl)pyrimidine-2,4-dione
CID 12381705
1,3-Dimethyl-5-isopropyluracil
CID 53658421
5-Methyl-1-(3-oxobutyl)pyrimidine-2,4-dione
CID 65438544

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).