5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one

C14H20N4O3 — CID 136911228

IUPAC5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCC(=O)N1CCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)CC1
InChIInChI=1S/C14H20N4O3/c1-9-12(14(21)16-10(2)15-9)8-13(20)18-6-4-17(5-7-18)11(3)19/h4-8H2,1-3H3,(H,15,16,21)
InChIKeyLWUVBVNBRYWRGD-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.38
Rot. Bonds2

About 5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 136911228) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID136911228
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCC(=O)N1CCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)CC1
InChIInChI=1S/C14H20N4O3/c1-9-12(14(21)16-10(2)15-9)8-13(20)18-6-4-17(5-7-18)11(3)19/h4-8H2,1-3H3,(H,15,16,21)
InChIKeyLWUVBVNBRYWRGD-UHFFFAOYSA-N
XLogP-0.38
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 136911228) is 5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one is CC(=O)N1CCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)CC1.
What is the InChIKey of 5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is LWUVBVNBRYWRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-9-12(14(21)16-10(2)15-9)8-13(20)18-6-4-17(5-7-18)11(3)19/h4-8H2,1-3H3,(H,15,16,21).
What are the key properties of 5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 292.34 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136911228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).