2,6-bis(3,4-dimethoxyphenyl)pyrazine;hydrochloride

C20H21ClN2O4 — CID 44532263

IUPAC2,6-bis(3,4-dimethoxyphenyl)pyrazine;hydrochloride
SMILESCOc1ccc(-c2cncc(-c3ccc(OC)c(OC)c3)n2)cc1OC.Cl
InChIInChI=1S/C20H20N2O4.ClH/c1-23-17-7-5-13(9-19(17)25-3)15-11-21-12-16(22-15)14-6-8-18(24-2)20(10-14)26-4;/h5-12H,1-4H3;1H
InChIKeyFMNKUGZMTRNFNX-UHFFFAOYSA-N
MW388.85 g/mol
LogP4.27
Rot. Bonds6

About 2,6-bis(3,4-dimethoxyphenyl)pyrazine;hydrochloride

2,6-bis(3,4-dimethoxyphenyl)pyrazine;hydrochloride (PubChem CID 44532263) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is 2,6-bis(3,4-dimethoxyphenyl)pyrazine;hydrochloride.

Molecular Properties

Compound Name2,6-bis(3,4-dimethoxyphenyl)pyrazine;hydrochloride
PubChem CID44532263
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Name2,6-bis(3,4-dimethoxyphenyl)pyrazine;hydrochloride
SMILESCOc1ccc(-c2cncc(-c3ccc(OC)c(OC)c3)n2)cc1OC.Cl
InChIInChI=1S/C20H20N2O4.ClH/c1-23-17-7-5-13(9-19(17)25-3)15-11-21-12-16(22-15)14-6-8-18(24-2)20(10-14)26-4;/h5-12H,1-4H3;1H
InChIKeyFMNKUGZMTRNFNX-UHFFFAOYSA-N
XLogP4.27
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3,4-dimethoxyphenyl)pyrazine;hydrochloride?
The IUPAC name of 2,6-bis(3,4-dimethoxyphenyl)pyrazine;hydrochloride (CID 44532263) is 2,6-bis(3,4-dimethoxyphenyl)pyrazine;hydrochloride.
What is the SMILES notation for 2,6-bis(3,4-dimethoxyphenyl)pyrazine;hydrochloride?
The canonical SMILES for 2,6-bis(3,4-dimethoxyphenyl)pyrazine;hydrochloride is COc1ccc(-c2cncc(-c3ccc(OC)c(OC)c3)n2)cc1OC.Cl.
What is the InChIKey of 2,6-bis(3,4-dimethoxyphenyl)pyrazine;hydrochloride?
The InChIKey is FMNKUGZMTRNFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4.ClH/c1-23-17-7-5-13(9-19(17)25-3)15-11-21-12-16(22-15)14-6-8-18(24-2)20(10-14)26-4;/h5-12H,1-4H3;1H.
What are the key properties of 2,6-bis(3,4-dimethoxyphenyl)pyrazine;hydrochloride?
2,6-bis(3,4-dimethoxyphenyl)pyrazine;hydrochloride has a molecular weight of 388.85 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3,4-dimethoxyphenyl)pyrazine;hydrochloride is sourced from PubChem (CID 44532263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).