5-acetyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione

C13H19N3O3 — CID 80642914

IUPAC5-acetyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(CC2CCN(C)CC2)c1=O
InChIInChI=1S/C13H19N3O3/c1-9(17)11-7-14-13(19)16(12(11)18)8-10-3-5-15(2)6-4-10/h7,10H,3-6,8H2,1-2H3,(H,14,19)
InChIKeyVEJHADGSDGDGBK-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.08
Rot. Bonds3

About 5-acetyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione

5-acetyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 80642914) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-acetyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID80642914
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-acetyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(CC2CCN(C)CC2)c1=O
InChIInChI=1S/C13H19N3O3/c1-9(17)11-7-14-13(19)16(12(11)18)8-10-3-5-15(2)6-4-10/h7,10H,3-6,8H2,1-2H3,(H,14,19)
InChIKeyVEJHADGSDGDGBK-UHFFFAOYSA-N
XLogP0.08
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 ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Acetyl-1-nonylpyrimidine-2,4-dione
CID 1815215
5-Acetyl-1-octylpyrimidine-2,4-dione
CID 5090858
5-acetyl-1-piperidino-2,4(1H,3H)-pyrimidinedione
CID 3778177
5-acetyl-1-isopentylpyrimidine-2,4(1H,3H)-dione
CID 901795
6-Amino-5-(2-piperidin-1-ylacetyl)-1-propylpyrimidine-2,4-dione
CID 4851012
5-hydroxy-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 33677178
5-Acetyl-3-ethylpyrimidine-2,4(1h,3h)-dione
CID 80643763
5-acetyl-3-(5,5,5-trifluoropentyl)-1H-pyrimidine-2,4-dione
CID 115523017
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-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione
CID 58862428
3,5-diacetyl-1H-pyrimidine-2,4-dione
CID 174535800

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione (CID 80642914) is 5-acetyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(CC2CCN(C)CC2)c1=O.
What is the InChIKey of 5-acetyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is VEJHADGSDGDGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(17)11-7-14-13(19)16(12(11)18)8-10-3-5-15(2)6-4-10/h7,10H,3-6,8H2,1-2H3,(H,14,19).
What are the key properties of 5-acetyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione?
5-acetyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 265.31 g/mol, XLogP of 0.08, 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-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80642914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).