5-acetyl-3-(2,6-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione

C13H19N3O3 — CID 83024457

IUPAC5-acetyl-3-(2,6-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(N2C(C)CCCC2C)c1=O
InChIInChI=1S/C13H19N3O3/c1-8-5-4-6-9(2)15(8)16-12(18)11(10(3)17)7-14-13(16)19/h7-9H,4-6H2,1-3H3,(H,14,19)
InChIKeyJSALCNWQXJGHRD-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.64
Rot. Bonds2

About 5-acetyl-3-(2,6-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione

5-acetyl-3-(2,6-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione (PubChem CID 83024457) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-acetyl-3-(2,6-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-(2,6-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione
PubChem CID83024457
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-acetyl-3-(2,6-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(N2C(C)CCCC2C)c1=O
InChIInChI=1S/C13H19N3O3/c1-8-5-4-6-9(2)15(8)16-12(18)11(10(3)17)7-14-13(16)19/h7-9H,4-6H2,1-3H3,(H,14,19)
InChIKeyJSALCNWQXJGHRD-UHFFFAOYSA-N
XLogP0.64
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-1-piperidino-2,4(1H,3H)-pyrimidinedione
CID 3778177
5-acetyl-3-cyclotridecyl-1H-pyrimidine-2,4-dione
CID 166779786
5-acetyl-1-(4-methylpiperazino)-2,4(1H,3H)-pyrimidinedione
CID 1483601
5-Acetyl-1-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-dione
CID 6987062
5-acetyl-3-(1-piperidin-1-ylpropan-2-yl)-1H-pyrimidine-2,4-dione
CID 80642777
5-acetyl-3-octan-2-yl-1H-pyrimidine-2,4-dione
CID 80642910
5-acetyl-3-cyclohexyl-1H-pyrimidine-2,4-dione
CID 80643119
5-acetyl-3-heptan-2-yl-1H-pyrimidine-2,4-dione
CID 80643132
5-acetyl-3-(1-methylpiperidin-3-yl)-1H-pyrimidine-2,4-dione
CID 80643417
5-acetyl-3-(1-ethylpiperidin-3-yl)-1H-pyrimidine-2,4-dione
CID 80643419
5-acetyl-3-cycloheptyl-1H-pyrimidine-2,4-dione
CID 80643482
5-acetyl-3-[(1-methylpiperidin-2-yl)methyl]-1H-pyrimidine-2,4-dione
CID 80643489

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(2,6-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-(2,6-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione (CID 83024457) is 5-acetyl-3-(2,6-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-(2,6-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-(2,6-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(N2C(C)CCCC2C)c1=O.
What is the InChIKey of 5-acetyl-3-(2,6-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is JSALCNWQXJGHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-5-4-6-9(2)15(8)16-12(18)11(10(3)17)7-14-13(16)19/h7-9H,4-6H2,1-3H3,(H,14,19).
What are the key properties of 5-acetyl-3-(2,6-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione?
5-acetyl-3-(2,6-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 265.31 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(2,6-dimethylpiperidin-1-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 83024457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).