3-benzyl-1-(3-oxobutan-2-yl)pyrimidine-2,4-dione

C15H16N2O3 — CID 102056709

IUPAC3-benzyl-1-(3-oxobutan-2-yl)pyrimidine-2,4-dione
SMILESCC(=O)C(C)n1ccc(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C15H16N2O3/c1-11(12(2)18)16-9-8-14(19)17(15(16)20)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3
InChIKeyXOWLAMIJKCXRKK-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.21
Rot. Bonds4

About 3-benzyl-1-(3-oxobutan-2-yl)pyrimidine-2,4-dione

3-benzyl-1-(3-oxobutan-2-yl)pyrimidine-2,4-dione (PubChem CID 102056709) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-benzyl-1-(3-oxobutan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-1-(3-oxobutan-2-yl)pyrimidine-2,4-dione
PubChem CID102056709
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-benzyl-1-(3-oxobutan-2-yl)pyrimidine-2,4-dione
SMILESCC(=O)C(C)n1ccc(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C15H16N2O3/c1-11(12(2)18)16-9-8-14(19)17(15(16)20)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3
InChIKeyXOWLAMIJKCXRKK-UHFFFAOYSA-N
XLogP1.21
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3-benzyl-2,4-dioxopyrimidin-1-yl)-3-phenylpropanoate
CID 10316701
6-acetyl-1,3-dibenzylpyrimidine-2,4-dione
CID 131848742
propan-2-yl N-[(3-benzyl-2,4-dioxopyrimidin-1-yl)methyl]-N-(propan-2-yloxycarbonylamino)carbamate
CID 13009254
1-benzyl-8-bromo-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione
CID 132585713
1-(1-benzyl-5-propan-2-ylpyrrol-2-yl)ethanone
CID 158790319
1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 15495786
(2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide
CID 9470737
3-benzyl-8-(hydroxymethyl)-7-(3-oxobutan-2-yl)-1-propylpurine-2,6-dione
CID 11485926
3-benzyl-1-[(3-bromophenyl)methyl]pyrimidine-2,4-dione
CID 166190063
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 43033506
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide
CID 112826982
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9137000

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(3-oxobutan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 3-benzyl-1-(3-oxobutan-2-yl)pyrimidine-2,4-dione (CID 102056709) is 3-benzyl-1-(3-oxobutan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzyl-1-(3-oxobutan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 3-benzyl-1-(3-oxobutan-2-yl)pyrimidine-2,4-dione is CC(=O)C(C)n1ccc(=O)n(Cc2ccccc2)c1=O.
What is the InChIKey of 3-benzyl-1-(3-oxobutan-2-yl)pyrimidine-2,4-dione?
The InChIKey is XOWLAMIJKCXRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-11(12(2)18)16-9-8-14(19)17(15(16)20)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3.
What are the key properties of 3-benzyl-1-(3-oxobutan-2-yl)pyrimidine-2,4-dione?
3-benzyl-1-(3-oxobutan-2-yl)pyrimidine-2,4-dione has a molecular weight of 272.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(3-oxobutan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 102056709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).