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

C11H16N4O3 — CID 83024552

IUPAC5-acetyl-3-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(N2CCN(C)CC2)c1=O
InChIInChI=1S/C11H16N4O3/c1-8(16)9-7-12-11(18)15(10(9)17)14-5-3-13(2)4-6-14/h7H,3-6H2,1-2H3,(H,12,18)
InChIKeyXUXFNEQXDLFQBL-UHFFFAOYSA-N
MW252.27 g/mol
LogP-1.38
Rot. Bonds2

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

5-acetyl-3-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione (PubChem CID 83024552) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-acetyl-3-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
PubChem CID83024552
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name5-acetyl-3-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(N2CCN(C)CC2)c1=O
InChIInChI=1S/C11H16N4O3/c1-8(16)9-7-12-11(18)15(10(9)17)14-5-3-13(2)4-6-14/h7H,3-6H2,1-2H3,(H,12,18)
InChIKeyXUXFNEQXDLFQBL-UHFFFAOYSA-N
XLogP-1.38
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-1.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetyl-1-piperidino-2,4(1H,3H)-pyrimidinedione
CID 3778177
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-Ethyl-1-(2-piperazin-1-ylethyl)pyrimidine-2,4-dione
CID 66329123
5-Ethyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidine-2,4-dione
CID 66329516
5-acetyl-3-(1-piperidin-1-ylpropan-2-yl)-1H-pyrimidine-2,4-dione
CID 80642777
5-acetyl-3-[2-(dimethylamino)propyl]-1H-pyrimidine-2,4-dione
CID 80642843
5-acetyl-3-[1-(diethylamino)propan-2-yl]-1H-pyrimidine-2,4-dione
CID 80642982
5-acetyl-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione
CID 80643120
5-acetyl-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione
CID 80643126
5-acetyl-3-[4-(dimethylamino)butyl]-1H-pyrimidine-2,4-dione
CID 80643127
5-acetyl-3-[2-(dimethylamino)ethyl]-1H-pyrimidine-2,4-dione
CID 80643261

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione (CID 83024552) is 5-acetyl-3-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(N2CCN(C)CC2)c1=O.
What is the InChIKey of 5-acetyl-3-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is XUXFNEQXDLFQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-8(16)9-7-12-11(18)15(10(9)17)14-5-3-13(2)4-6-14/h7H,3-6H2,1-2H3,(H,12,18).
What are the key properties of 5-acetyl-3-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
5-acetyl-3-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 252.27 g/mol, XLogP of -1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 83024552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).