5-ethoxy-3-(2-methylpropyl)-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-2-one

C20H28N2O5 — CID 57012988

IUPAC5-ethoxy-3-(2-methylpropyl)-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-2-one
SMILESCCOc1nc(CC(C)C)c(=O)[nH]c1Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H28N2O5/c1-7-27-20-15(21-19(23)14(22-20)8-12(2)3)9-13-10-16(24-4)18(26-6)17(11-13)25-5/h10-12H,7-9H2,1-6H3,(H,21,23)
InChIKeyQMRKPTNBMONVQK-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.98
Rot. Bonds9

About 5-ethoxy-3-(2-methylpropyl)-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-2-one

5-ethoxy-3-(2-methylpropyl)-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-2-one (PubChem CID 57012988) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is 5-ethoxy-3-(2-methylpropyl)-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-ethoxy-3-(2-methylpropyl)-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-2-one
PubChem CID57012988
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name5-ethoxy-3-(2-methylpropyl)-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-2-one
SMILESCCOc1nc(CC(C)C)c(=O)[nH]c1Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H28N2O5/c1-7-27-20-15(21-19(23)14(22-20)8-12(2)3)9-13-10-16(24-4)18(26-6)17(11-13)25-5/h10-12H,7-9H2,1-6H3,(H,21,23)
InChIKeyQMRKPTNBMONVQK-UHFFFAOYSA-N
XLogP2.98
TPSA82.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclohexylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2480018
N-tert-butyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095908
4(1H)-Pyrimidinone, 2-butoxy-6-((3,4,5-trimethoxyphenyl)methyl)-
CID 135538687
N-(2-methylpentan-2-yl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 49365482
N-(2-methylpentan-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 49366508
4,6-Dihydroxy-2-[3,4,5-trimethoxybenzyl]pyrimidine
CID 550589
N-[2-(3,4,5-Trimethoxyphenyl)ethyl]propanamide
CID 606656
N-[2-(3,4,5-trimethoxyphenyl)ethyl]butanamide
CID 113095618
5-ethoxy-3-(2-methylpropyl)-4-oxido-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-4-ium-2-one
CID 15292797
5-Hydroxy-3-isobutyl-6-(3,4,5-trimethoxy-benzyl)-1,2-dihydropyrazin-2-one 4-oxide
CID 19378757
5-ethyl-3-(2-methylpropyl)-4-oxido-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-4-ium-2-one
CID 19378766
3-Isobutyl-5-methoxy-6-(3,4,5-trimethoxybenzyl)-1,2dihydro pyrazin-2-one 4-oxide
CID 19378795

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-(2-methylpropyl)-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-2-one?
The IUPAC name of 5-ethoxy-3-(2-methylpropyl)-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-2-one (CID 57012988) is 5-ethoxy-3-(2-methylpropyl)-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-ethoxy-3-(2-methylpropyl)-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-ethoxy-3-(2-methylpropyl)-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-2-one is CCOc1nc(CC(C)C)c(=O)[nH]c1Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 5-ethoxy-3-(2-methylpropyl)-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-2-one?
The InChIKey is QMRKPTNBMONVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-7-27-20-15(21-19(23)14(22-20)8-12(2)3)9-13-10-16(24-4)18(26-6)17(11-13)25-5/h10-12H,7-9H2,1-6H3,(H,21,23).
What are the key properties of 5-ethoxy-3-(2-methylpropyl)-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-2-one?
5-ethoxy-3-(2-methylpropyl)-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-2-one has a molecular weight of 376.45 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-(2-methylpropyl)-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-2-one is sourced from PubChem (CID 57012988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).