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

C13H19N3O3 — CID 80643419

IUPAC5-acetyl-3-(1-ethylpiperidin-3-yl)-1H-pyrimidine-2,4-dione
SMILESCCN1CCCC(n2c(=O)[nH]cc(C(C)=O)c2=O)C1
InChIInChI=1S/C13H19N3O3/c1-3-15-6-4-5-10(8-15)16-12(18)11(9(2)17)7-14-13(16)19/h7,10H,3-6,8H2,1-2H3,(H,14,19)
InChIKeyWYTUXFBTBBXPMP-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.40
Rot. Bonds3

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

5-acetyl-3-(1-ethylpiperidin-3-yl)-1H-pyrimidine-2,4-dione (PubChem CID 80643419) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-acetyl-3-(1-ethylpiperidin-3-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-(1-ethylpiperidin-3-yl)-1H-pyrimidine-2,4-dione
PubChem CID80643419
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-acetyl-3-(1-ethylpiperidin-3-yl)-1H-pyrimidine-2,4-dione
SMILESCCN1CCCC(n2c(=O)[nH]cc(C(C)=O)c2=O)C1
InChIInChI=1S/C13H19N3O3/c1-3-15-6-4-5-10(8-15)16-12(18)11(9(2)17)7-14-13(16)19/h7,10H,3-6,8H2,1-2H3,(H,14,19)
InChIKeyWYTUXFBTBBXPMP-UHFFFAOYSA-N
XLogP0.40
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-1-(1-methylheptyl)-2,4(1H,3H)-pyrimidinedione
CID 4108328
m-Piperidinyl thymine
CID 51050595
5-Acetyl-3-ethylpyrimidine-2,4(1h,3h)-dione
CID 80643763
5-acetyl-1-hexylpyrimidine-2,4(1H,3H)-dione
CID 56690069
5-acetyl-1-[5-(5-acetyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)pentyl]pyrimidine-2,4(1H,3H)-dione
CID 145922020
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-[(2R)-octan-2-yl]pyrimidine-2,4-dione
CID 1815213
5-acetyl-1-[(2S)-octan-2-yl]pyrimidine-2,4-dione
CID 1815214
5-Acetyl-1-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-dione
CID 6987062
6-amino-1,3-dimethyl-5-[(2R)-2-(3-oxopiperazin-1-yl)propanoyl]pyrimidine-2,4-dione
CID 27215379
6-amino-1,3-dimethyl-5-[(2S)-2-(3-oxopiperazin-1-yl)propanoyl]pyrimidine-2,4-dione
CID 27215381

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(1-ethylpiperidin-3-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-(1-ethylpiperidin-3-yl)-1H-pyrimidine-2,4-dione (CID 80643419) is 5-acetyl-3-(1-ethylpiperidin-3-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-(1-ethylpiperidin-3-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-(1-ethylpiperidin-3-yl)-1H-pyrimidine-2,4-dione is CCN1CCCC(n2c(=O)[nH]cc(C(C)=O)c2=O)C1.
What is the InChIKey of 5-acetyl-3-(1-ethylpiperidin-3-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is WYTUXFBTBBXPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-15-6-4-5-10(8-15)16-12(18)11(9(2)17)7-14-13(16)19/h7,10H,3-6,8H2,1-2H3,(H,14,19).
What are the key properties of 5-acetyl-3-(1-ethylpiperidin-3-yl)-1H-pyrimidine-2,4-dione?
5-acetyl-3-(1-ethylpiperidin-3-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 265.31 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(1-ethylpiperidin-3-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80643419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).