2-[(4-butylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine

C24H28N2O2 — CID 19859908

IUPAC2-[(4-butylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine
SMILESCCCCc1ccc(COc2cnc(-c3ccc(OCCC)cc3)cn2)cc1
InChIInChI=1S/C24H28N2O2/c1-3-5-6-19-7-9-20(10-8-19)18-28-24-17-25-23(16-26-24)21-11-13-22(14-12-21)27-15-4-2/h7-14,16-17H,3-6,15,18H2,1-2H3
InChIKeyJKDHMLBMVCTGLP-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.85
Rot. Bonds10

About 2-[(4-butylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine

2-[(4-butylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine (PubChem CID 19859908) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[(4-butylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine.

Molecular Properties

Compound Name2-[(4-butylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine
PubChem CID19859908
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2-[(4-butylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine
SMILESCCCCc1ccc(COc2cnc(-c3ccc(OCCC)cc3)cn2)cc1
InChIInChI=1S/C24H28N2O2/c1-3-5-6-19-7-9-20(10-8-19)18-28-24-17-25-23(16-26-24)21-11-13-22(14-12-21)27-15-4-2/h7-14,16-17H,3-6,15,18H2,1-2H3
InChIKeyJKDHMLBMVCTGLP-UHFFFAOYSA-N
XLogP5.85
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-pentylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine
CID 19859086
2-(4-butoxyphenyl)-5-[(4-propylphenyl)methoxy]pyrazine
CID 19859377
2-(4-heptylphenyl)-5-[(4-heptylphenyl)methoxy]pyrazine
CID 57061929
2-(4-hexylphenyl)-5-[(4-propylphenyl)methoxy]pyrazine
CID 57317122
[5-(4-butylphenyl)pyrazin-2-yl] 4-propoxybenzoate
CID 70373500
4-[5-[(4-octylphenyl)methoxy]pyrazin-2-yl]benzonitrile
CID 19859861
2-heptoxy-5-(4-heptoxyphenyl)pyrazine
CID 19103384
4-[5-[(4-propylphenyl)methoxy]pyrazin-2-yl]benzonitrile
CID 19859231
2-(4-heptylphenyl)-5-propoxypyridine
CID 19841888
5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine
CID 19859964
2,5-bis(4-hexoxyphenyl)pyrazine
CID 86183417
(4-pentylphenyl) 5-(4-propoxyphenyl)pyrazine-2-carboxylate
CID 19859590

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine?
The IUPAC name of 2-[(4-butylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine (CID 19859908) is 2-[(4-butylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine.
What is the SMILES notation for 2-[(4-butylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine?
The canonical SMILES for 2-[(4-butylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine is CCCCc1ccc(COc2cnc(-c3ccc(OCCC)cc3)cn2)cc1.
What is the InChIKey of 2-[(4-butylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine?
The InChIKey is JKDHMLBMVCTGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-3-5-6-19-7-9-20(10-8-19)18-28-24-17-25-23(16-26-24)21-11-13-22(14-12-21)27-15-4-2/h7-14,16-17H,3-6,15,18H2,1-2H3.
What are the key properties of 2-[(4-butylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine?
2-[(4-butylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine has a molecular weight of 376.50 g/mol, XLogP of 5.85, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine is sourced from PubChem (CID 19859908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).