3-[(2-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one

C10H17N3O2 — CID 115658440

IUPAC3-[(2-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one
SMILESCOC(C)(C)CNc1nccn(C)c1=O
InChIInChI=1S/C10H17N3O2/c1-10(2,15-4)7-12-8-9(14)13(3)6-5-11-8/h5-6H,7H2,1-4H3,(H,11,12)
InChIKeyINKIIYAYGMVJEX-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.62
Rot. Bonds4

About 3-[(2-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one

3-[(2-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one (PubChem CID 115658440) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[(2-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[(2-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one
PubChem CID115658440
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[(2-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one
SMILESCOC(C)(C)CNc1nccn(C)c1=O
InChIInChI=1S/C10H17N3O2/c1-10(2,15-4)7-12-8-9(14)13(3)6-5-11-8/h5-6H,7H2,1-4H3,(H,11,12)
InChIKeyINKIIYAYGMVJEX-UHFFFAOYSA-N
XLogP0.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,2,2-trimethyl-3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanamide
CID 103823192
3-[(2-hydroxy-2-methylpentyl)amino]-1-methylpyrazin-2-one
CID 103703097
3-(3-methoxypropylamino)-1-methylpyrazin-2-one
CID 62939042
3-(cyclohexylmethylamino)-1-methylpyrazin-2-one
CID 62939564
1-methyl-3-(2-methylbutylamino)pyrazin-2-one
CID 62938700
3-[(3-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one
CID 62939228
3-[(2-chloro-3-methoxypropyl)amino]-1-methylpyrazin-2-one
CID 65027955
ethyl 3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
CID 62939727
1-methyl-3-(octylamino)pyrazin-2-one
CID 113337455
tert-butyl N-[3-[(4-methyl-3-oxopyrazin-2-yl)amino]propyl]carbamate
CID 115657447
3-[(3-amino-2-methylpropyl)amino]-1-methylpyrazin-2-one
CID 65034860
1-methyl-3-[(2-methylcyclopropyl)methylamino]pyrazin-2-one
CID 115657073

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[(2-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one (CID 115658440) is 3-[(2-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[(2-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[(2-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one is COC(C)(C)CNc1nccn(C)c1=O.
What is the InChIKey of 3-[(2-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one?
The InChIKey is INKIIYAYGMVJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,15-4)7-12-8-9(14)13(3)6-5-11-8/h5-6H,7H2,1-4H3,(H,11,12).
What are the key properties of 3-[(2-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one?
3-[(2-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one has a molecular weight of 211.26 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one is sourced from PubChem (CID 115658440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).