1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-methylpyrazine-2,3-dione

C15H19N3O3 — CID 62927691

IUPAC1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-methylpyrazine-2,3-dione
SMILESCNC(Cn1ccn(C)c(=O)c1=O)c1ccccc1OC
InChIInChI=1S/C15H19N3O3/c1-16-12(11-6-4-5-7-13(11)21-3)10-18-9-8-17(2)14(19)15(18)20/h4-9,12,16H,10H2,1-3H3
InChIKeyZHPIRTPNVOHMSD-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.52
Rot. Bonds5

About 1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-methylpyrazine-2,3-dione

1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-methylpyrazine-2,3-dione (PubChem CID 62927691) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-methylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-methylpyrazine-2,3-dione
PubChem CID62927691
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-methylpyrazine-2,3-dione
SMILESCNC(Cn1ccn(C)c(=O)c1=O)c1ccccc1OC
InChIInChI=1S/C15H19N3O3/c1-16-12(11-6-4-5-7-13(11)21-3)10-18-9-8-17(2)14(19)15(18)20/h4-9,12,16H,10H2,1-3H3
InChIKeyZHPIRTPNVOHMSD-UHFFFAOYSA-N
XLogP0.52
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-3-propylimidazol-2-one
CID 80579661
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-methylpyridin-2-one
CID 62962498
1-[2-(2-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one
CID 80579539
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-3-methylimidazolidin-2-one
CID 62491847
1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]-4-methylpyrazine-2,3-dione
CID 62928045
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289
1-ethyl-3-[2-(2-methoxy-5-methylphenyl)-2-(methylamino)ethyl]imidazol-2-one
CID 80579333
4-(2-methoxyphenyl)-4-(methylamino)butanoic acid
CID 112517908
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511467
1-(2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529894
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propylpyrrolidin-2-one
CID 104511373
1-[2-(ethylamino)-2-(4-methylphenyl)ethyl]-4-methylpyrazine-2,3-dione
CID 62929078

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-methylpyrazine-2,3-dione?
The IUPAC name of 1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-methylpyrazine-2,3-dione (CID 62927691) is 1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-methylpyrazine-2,3-dione.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-methylpyrazine-2,3-dione?
The canonical SMILES for 1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-methylpyrazine-2,3-dione is CNC(Cn1ccn(C)c(=O)c1=O)c1ccccc1OC.
What is the InChIKey of 1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-methylpyrazine-2,3-dione?
The InChIKey is ZHPIRTPNVOHMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-16-12(11-6-4-5-7-13(11)21-3)10-18-9-8-17(2)14(19)15(18)20/h4-9,12,16H,10H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-methylpyrazine-2,3-dione?
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-methylpyrazine-2,3-dione has a molecular weight of 289.34 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-methylpyrazine-2,3-dione is sourced from PubChem (CID 62927691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).