1-(4-ethylpiperazin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone

C13H20N4O2 — CID 121086723

IUPAC1-(4-ethylpiperazin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone
SMILESCCN1CCN(C(=O)COc2nccc(C)n2)CC1
InChIInChI=1S/C13H20N4O2/c1-3-16-6-8-17(9-7-16)12(18)10-19-13-14-5-4-11(2)15-13/h4-5H,3,6-10H2,1-2H3
InChIKeyVIQWPFUITBVSFL-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.33
Rot. Bonds4

About 1-(4-ethylpiperazin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone

1-(4-ethylpiperazin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone (PubChem CID 121086723) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone
PubChem CID121086723
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone
SMILESCCN1CCN(C(=O)COc2nccc(C)n2)CC1
InChIInChI=1S/C13H20N4O2/c1-3-16-6-8-17(9-7-16)12(18)10-19-13-14-5-4-11(2)15-13/h4-5H,3,6-10H2,1-2H3
InChIKeyVIQWPFUITBVSFL-UHFFFAOYSA-N
XLogP0.33
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-ethylpiperazin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[(3R)-3-methylpiperidin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone
CID 95875447
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone
CID 121086870
2-(4-methylpyrimidin-2-yl)oxy-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 121086865
1-(4-ethylpiperazin-1-yl)-2-(6-methylpyrimidin-4-yl)oxyethanone
CID 110849961
1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone
CID 171138674
1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone
CID 110849960
1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
CID 4636229
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 121086683
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 70703856
1-(4-ethylpiperazin-1-yl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxyethanone
CID 100828971
1-(4-ethylpiperazin-1-yl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 56824387
ethyl 4-[4-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 109302562

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone (CID 121086723) is 1-(4-ethylpiperazin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone is CCN1CCN(C(=O)COc2nccc(C)n2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone?
The InChIKey is VIQWPFUITBVSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-16-6-8-17(9-7-16)12(18)10-19-13-14-5-4-11(2)15-13/h4-5H,3,6-10H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone?
1-(4-ethylpiperazin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone has a molecular weight of 264.33 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone is sourced from PubChem (CID 121086723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).