1-(4-ethylpiperazin-1-yl)-2-(6-methylpyrimidin-4-yl)oxyethanone

C13H20N4O2 — CID 110849961

IUPAC1-(4-ethylpiperazin-1-yl)-2-(6-methylpyrimidin-4-yl)oxyethanone
SMILESCCN1CCN(C(=O)COc2cc(C)ncn2)CC1
InChIInChI=1S/C13H20N4O2/c1-3-16-4-6-17(7-5-16)13(18)9-19-12-8-11(2)14-10-15-12/h8,10H,3-7,9H2,1-2H3
InChIKeySLVXYUIYGGRYOM-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.33
Rot. Bonds4

About 1-(4-ethylpiperazin-1-yl)-2-(6-methylpyrimidin-4-yl)oxyethanone

1-(4-ethylpiperazin-1-yl)-2-(6-methylpyrimidin-4-yl)oxyethanone (PubChem CID 110849961) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-(6-methylpyrimidin-4-yl)oxyethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-(6-methylpyrimidin-4-yl)oxyethanone
PubChem CID110849961
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-(6-methylpyrimidin-4-yl)oxyethanone
SMILESCCN1CCN(C(=O)COc2cc(C)ncn2)CC1
InChIInChI=1S/C13H20N4O2/c1-3-16-4-6-17(7-5-16)13(18)9-19-12-8-11(2)14-10-15-12/h8,10H,3-7,9H2,1-2H3
InChIKeySLVXYUIYGGRYOM-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

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone
CID 121086723
1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
CID 4636229
2-(3,4-dimethylphenoxy)-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 108755384
2-(4-chloro-3-methylphenoxy)-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 108755381
1-(4-ethylpiperazin-1-yl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxyethanone
CID 100828971
1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone
CID 110849960
1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone
CID 171138674
1-(4-ethylpiperazin-1-yl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 56824387
2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-piperidin-1-ylethanone
CID 6620932
(4-amino-6-methyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 81236941
1,3-bis(4-ethylpiperazin-1-yl)propane-1,3-dione
CID 108944495
1-(4-ethylpiperazin-1-yl)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]ethanone
CID 133293927

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(6-methylpyrimidin-4-yl)oxyethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(6-methylpyrimidin-4-yl)oxyethanone (CID 110849961) is 1-(4-ethylpiperazin-1-yl)-2-(6-methylpyrimidin-4-yl)oxyethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-(6-methylpyrimidin-4-yl)oxyethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-(6-methylpyrimidin-4-yl)oxyethanone is CCN1CCN(C(=O)COc2cc(C)ncn2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-(6-methylpyrimidin-4-yl)oxyethanone?
The InChIKey is SLVXYUIYGGRYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-16-4-6-17(7-5-16)13(18)9-19-12-8-11(2)14-10-15-12/h8,10H,3-7,9H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-(6-methylpyrimidin-4-yl)oxyethanone?
1-(4-ethylpiperazin-1-yl)-2-(6-methylpyrimidin-4-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-(6-methylpyrimidin-4-yl)oxyethanone is sourced from PubChem (CID 110849961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).