2-(2,4-dimethoxyphenyl)-3,6-diethyl-5-(2-methylbutyl)pyrazine

C21H30N2O2 — CID 22248949

IUPAC2-(2,4-dimethoxyphenyl)-3,6-diethyl-5-(2-methylbutyl)pyrazine
SMILESCCc1nc(-c2ccc(OC)cc2OC)c(CC)nc1CC(C)CC
InChIInChI=1S/C21H30N2O2/c1-7-14(4)12-19-17(8-2)23-21(18(9-3)22-19)16-11-10-15(24-5)13-20(16)25-6/h10-11,13-14H,7-9,12H2,1-6H3
InChIKeyYVONNGOKWRCOEX-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.87
Rot. Bonds8

About 2-(2,4-dimethoxyphenyl)-3,6-diethyl-5-(2-methylbutyl)pyrazine

2-(2,4-dimethoxyphenyl)-3,6-diethyl-5-(2-methylbutyl)pyrazine (PubChem CID 22248949) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-3,6-diethyl-5-(2-methylbutyl)pyrazine.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-3,6-diethyl-5-(2-methylbutyl)pyrazine
PubChem CID22248949
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name2-(2,4-dimethoxyphenyl)-3,6-diethyl-5-(2-methylbutyl)pyrazine
SMILESCCc1nc(-c2ccc(OC)cc2OC)c(CC)nc1CC(C)CC
InChIInChI=1S/C21H30N2O2/c1-7-14(4)12-19-17(8-2)23-21(18(9-3)22-19)16-11-10-15(24-5)13-20(16)25-6/h10-11,13-14H,7-9,12H2,1-6H3
InChIKeyYVONNGOKWRCOEX-UHFFFAOYSA-N
XLogP4.87
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-diethyl-3-heptan-4-yloxy-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine
CID 10138145
5-ethyl-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-2-N-methyl-3-N-pentan-3-ylpyrazine-2,3-diamine
CID 10386972
2-(2,4-dimethoxyphenyl)-4-ethyl-6-methoxypyrimidin-5-amine
CID 22324338
4-chloro-2-(2,4-dimethoxyphenyl)-6-ethyl-5-methylpyrimidine
CID 63549144
1-(2,4-dimethoxyphenyl)-3-methylpentan-1-ol
CID 65150825
6-ethyl-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-pentan-3-ylimidazo[4,5-b]pyrazine
CID 11625654
3,6-diethyl-N-(1-methoxybutan-2-yl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-amine
CID 159209645
[2-(2,4-dimethoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 63560270
3-(2,4-dimethoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 43670816
2-(1-bromopropyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 62856513
3,6-diethyl-5-(4-methoxy-2-methylphenyl)-N-pyrrolidin-1-ylpyrazin-2-amine
CID 142247169
5-(4-ethoxy-2-methoxyphenyl)-3-ethyl-6-methoxy-N-pentylpyrazin-2-amine
CID 70104981

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-3,6-diethyl-5-(2-methylbutyl)pyrazine?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-3,6-diethyl-5-(2-methylbutyl)pyrazine (CID 22248949) is 2-(2,4-dimethoxyphenyl)-3,6-diethyl-5-(2-methylbutyl)pyrazine.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-3,6-diethyl-5-(2-methylbutyl)pyrazine?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-3,6-diethyl-5-(2-methylbutyl)pyrazine is CCc1nc(-c2ccc(OC)cc2OC)c(CC)nc1CC(C)CC.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-3,6-diethyl-5-(2-methylbutyl)pyrazine?
The InChIKey is YVONNGOKWRCOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-7-14(4)12-19-17(8-2)23-21(18(9-3)22-19)16-11-10-15(24-5)13-20(16)25-6/h10-11,13-14H,7-9,12H2,1-6H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-3,6-diethyl-5-(2-methylbutyl)pyrazine?
2-(2,4-dimethoxyphenyl)-3,6-diethyl-5-(2-methylbutyl)pyrazine has a molecular weight of 342.48 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-3,6-diethyl-5-(2-methylbutyl)pyrazine is sourced from PubChem (CID 22248949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).