1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone

C13H20N4O2 — CID 94164222

IUPAC1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone
SMILESC[C@@H]1CN(C(=O)CN(C)c2cnccn2)C[C@H](C)O1
InChIInChI=1S/C13H20N4O2/c1-10-7-17(8-11(2)19-10)13(18)9-16(3)12-6-14-4-5-15-12/h4-6,10-11H,7-9H2,1-3H3/t10-,11+
InChIKeyWJSHSJLZLGGHBE-PHIMTYICSA-N
MW264.33 g/mol
LogP0.55
Rot. Bonds3

About 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone

1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone (PubChem CID 94164222) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone
PubChem CID94164222
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone
SMILESC[C@@H]1CN(C(=O)CN(C)c2cnccn2)C[C@H](C)O1
InChIInChI=1S/C13H20N4O2/c1-10-7-17(8-11(2)19-10)13(18)9-16(3)12-6-14-4-5-15-12/h4-6,10-11H,7-9H2,1-3H3/t10-,11+
InChIKeyWJSHSJLZLGGHBE-PHIMTYICSA-N
XLogP0.55
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1-Methylimidazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 53559966
2-[3-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 53570699
1-[4-(2-Hydroxypropyl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone
CID 53625160
2-methyl-N-[2-(pyrazin-2-ylamino)ethyl]morpholine-4-carboxamide
CID 71892876
1-(4-Ethoxypiperidin-1-yl)-2-[methyl(pyrazin-2-yl)amino]ethanone
CID 71938530
N,N-diethyl-2-[4-(3-methoxypyrazin-2-yl)piperazin-1-yl]acetamide
CID 172438451
1-[4-[3-(Dimethylamino)pyrazin-2-yl]piperazin-1-yl]ethanone
CID 53014908
1-(2,6-Dimethylmorpholin-4-yl)-2-[methyl(pyrazin-2-yl)amino]ethanone
CID 56812298
4-(3-Ethoxypyrazin-2-YL)-1-(2-methylpropyl)piperazin-2-one
CID 91650225
4-[3-(Dimethylamino)pyrazin-2-yl]-1-(2-methylpropyl)piperazin-2-one
CID 91650226
2-[methyl(pyrazin-2-yl)amino]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone
CID 94202931
2-[(6S)-6-hydroxy-4-pyrazin-2-yl-1,4-diazepan-1-yl]-1-piperidin-1-ylethanone
CID 97929750

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone?
The IUPAC name of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone (CID 94164222) is 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone.
What is the SMILES notation for 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone?
The canonical SMILES for 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone is C[C@@H]1CN(C(=O)CN(C)c2cnccn2)C[C@H](C)O1.
What is the InChIKey of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone?
The InChIKey is WJSHSJLZLGGHBE-PHIMTYICSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10-7-17(8-11(2)19-10)13(18)9-16(3)12-6-14-4-5-15-12/h4-6,10-11H,7-9H2,1-3H3/t10-,11+.
What are the key properties of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone?
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone has a molecular weight of 264.33 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone is sourced from PubChem (CID 94164222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).