3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1-(2-methylpropyl)pyrazin-2-one

C14H26N4O2 — CID 62929520

IUPAC3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCOCCN(C)CCNc1nccn(CC(C)C)c1=O
InChIInChI=1S/C14H26N4O2/c1-12(2)11-18-8-6-16-13(14(18)19)15-5-7-17(3)9-10-20-4/h6,8,12H,5,7,9-11H2,1-4H3,(H,15,16)
InChIKeyWIWNJEXNCQEYGD-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.89
Rot. Bonds9

About 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1-(2-methylpropyl)pyrazin-2-one

3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 62929520) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID62929520
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCOCCN(C)CCNc1nccn(CC(C)C)c1=O
InChIInChI=1S/C14H26N4O2/c1-12(2)11-18-8-6-16-13(14(18)19)15-5-7-17(3)9-10-20-4/h6,8,12H,5,7,9-11H2,1-4H3,(H,15,16)
InChIKeyWIWNJEXNCQEYGD-UHFFFAOYSA-N
XLogP0.89
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1-(2-methylpropyl)pyrazin-2-one (CID 62929520) is 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1-(2-methylpropyl)pyrazin-2-one is COCCN(C)CCNc1nccn(CC(C)C)c1=O.
What is the InChIKey of 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is WIWNJEXNCQEYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-12(2)11-18-8-6-16-13(14(18)19)15-5-7-17(3)9-10-20-4/h6,8,12H,5,7,9-11H2,1-4H3,(H,15,16).
What are the key properties of 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 282.39 g/mol, XLogP of 0.89, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 62929520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).