3-[(6,6-dimethylmorpholin-2-yl)methoxy]-1-ethylpyrazin-2-one

C13H21N3O3 — CID 114775957

IUPAC3-[(6,6-dimethylmorpholin-2-yl)methoxy]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(OCC2CNCC(C)(C)O2)c1=O
InChIInChI=1S/C13H21N3O3/c1-4-16-6-5-15-11(12(16)17)18-8-10-7-14-9-13(2,3)19-10/h5-6,10,14H,4,7-9H2,1-3H3
InChIKeyCKBOTPWGZXXUOX-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.41
Rot. Bonds4

About 3-[(6,6-dimethylmorpholin-2-yl)methoxy]-1-ethylpyrazin-2-one

3-[(6,6-dimethylmorpholin-2-yl)methoxy]-1-ethylpyrazin-2-one (PubChem CID 114775957) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[(6,6-dimethylmorpholin-2-yl)methoxy]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[(6,6-dimethylmorpholin-2-yl)methoxy]-1-ethylpyrazin-2-one
PubChem CID114775957
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-[(6,6-dimethylmorpholin-2-yl)methoxy]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(OCC2CNCC(C)(C)O2)c1=O
InChIInChI=1S/C13H21N3O3/c1-4-16-6-5-15-11(12(16)17)18-8-10-7-14-9-13(2,3)19-10/h5-6,10,14H,4,7-9H2,1-3H3
InChIKeyCKBOTPWGZXXUOX-UHFFFAOYSA-N
XLogP0.41
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-6-[(1-methylimidazol-2-yl)oxymethyl]morpholine
CID 114775834
1-ethyl-3-piperidin-4-yloxypyrazin-2-one
CID 62929757
6-[(5-bromopyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine
CID 114775968
1-ethyl-3-(2-pyrrolidin-3-ylethoxy)pyrazin-2-one
CID 114796570
6-[(5-chloro-3-nitro-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine
CID 114775810
4-[(6,6-dimethylmorpholin-2-yl)methoxy]benzonitrile
CID 114775943
2,2-dimethyl-6-[(4-methylpyrimidin-2-yl)oxymethyl]morpholine
CID 114775795
4-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-2-carboxamide
CID 114775946
7-[(6,6-dimethylmorpholin-2-yl)methoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 114775928
2-[(6,6-dimethylmorpholin-2-yl)methoxy]-4,6-dimethylpyridine-3-carboxamide
CID 114775730
1-ethyl-3-(2-piperidin-3-ylethoxy)pyrazin-2-one
CID 55156625
6-[(2-methoxy-3-pyridinyl)methoxymethyl]-2,2-dimethylmorpholine
CID 114775440

Frequently Asked Questions

What is the IUPAC name of 3-[(6,6-dimethylmorpholin-2-yl)methoxy]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[(6,6-dimethylmorpholin-2-yl)methoxy]-1-ethylpyrazin-2-one (CID 114775957) is 3-[(6,6-dimethylmorpholin-2-yl)methoxy]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[(6,6-dimethylmorpholin-2-yl)methoxy]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[(6,6-dimethylmorpholin-2-yl)methoxy]-1-ethylpyrazin-2-one is CCn1ccnc(OCC2CNCC(C)(C)O2)c1=O.
What is the InChIKey of 3-[(6,6-dimethylmorpholin-2-yl)methoxy]-1-ethylpyrazin-2-one?
The InChIKey is CKBOTPWGZXXUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-16-6-5-15-11(12(16)17)18-8-10-7-14-9-13(2,3)19-10/h5-6,10,14H,4,7-9H2,1-3H3.
What are the key properties of 3-[(6,6-dimethylmorpholin-2-yl)methoxy]-1-ethylpyrazin-2-one?
3-[(6,6-dimethylmorpholin-2-yl)methoxy]-1-ethylpyrazin-2-one has a molecular weight of 267.33 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,6-dimethylmorpholin-2-yl)methoxy]-1-ethylpyrazin-2-one is sourced from PubChem (CID 114775957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).