2-(4-butoxyphenyl)-5-[(4-propylphenyl)methoxy]pyrazine

C24H28N2O2 — CID 19859377

IUPAC2-(4-butoxyphenyl)-5-[(4-propylphenyl)methoxy]pyrazine
SMILESCCCCOc1ccc(-c2cnc(OCc3ccc(CCC)cc3)cn2)cc1
InChIInChI=1S/C24H28N2O2/c1-3-5-15-27-22-13-11-21(12-14-22)23-16-26-24(17-25-23)28-18-20-9-7-19(6-4-2)8-10-20/h7-14,16-17H,3-6,15,18H2,1-2H3
InChIKeyKRLBNZNXVWKYTI-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.85
Rot. Bonds10

About 2-(4-butoxyphenyl)-5-[(4-propylphenyl)methoxy]pyrazine

2-(4-butoxyphenyl)-5-[(4-propylphenyl)methoxy]pyrazine (PubChem CID 19859377) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-5-[(4-propylphenyl)methoxy]pyrazine.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-5-[(4-propylphenyl)methoxy]pyrazine
PubChem CID19859377
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2-(4-butoxyphenyl)-5-[(4-propylphenyl)methoxy]pyrazine
SMILESCCCCOc1ccc(-c2cnc(OCc3ccc(CCC)cc3)cn2)cc1
InChIInChI=1S/C24H28N2O2/c1-3-5-15-27-22-13-11-21(12-14-22)23-16-26-24(17-25-23)28-18-20-9-7-19(6-4-2)8-10-20/h7-14,16-17H,3-6,15,18H2,1-2H3
InChIKeyKRLBNZNXVWKYTI-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

Computed Properties (RDKit)

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

Analyze 2-(4-butoxyphenyl)-5-[(4-propylphenyl)methoxy]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-butylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine
CID 19859908
2-[(4-pentylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine
CID 19859086
2-(4-hexylphenyl)-5-[(4-propylphenyl)methoxy]pyrazine
CID 57317122
2-(4-heptylphenyl)-5-[(4-heptylphenyl)methoxy]pyrazine
CID 57061929
4-[5-[(4-propylphenyl)methoxy]pyrazin-2-yl]benzonitrile
CID 19859231
2-heptoxy-5-(4-heptoxyphenyl)pyrazine
CID 19103384
4-[5-[(4-octylphenyl)methoxy]pyrazin-2-yl]benzonitrile
CID 19859861
2,5-bis(4-hexoxyphenyl)pyrazine
CID 86183417
[5-(4-butylphenyl)pyrazin-2-yl] 4-propoxybenzoate
CID 70373500
2-(6-octoxy-3-pyridinyl)-5-(4-phenylmethoxyphenyl)pyrazine
CID 22412778
4-(5-butoxypyrazin-2-yl)benzonitrile
CID 71330453
2-[4-[2-(4-butoxyphenyl)ethyl]phenyl]-5-heptylpyridine
CID 19842054

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-5-[(4-propylphenyl)methoxy]pyrazine?
The IUPAC name of 2-(4-butoxyphenyl)-5-[(4-propylphenyl)methoxy]pyrazine (CID 19859377) is 2-(4-butoxyphenyl)-5-[(4-propylphenyl)methoxy]pyrazine.
What is the SMILES notation for 2-(4-butoxyphenyl)-5-[(4-propylphenyl)methoxy]pyrazine?
The canonical SMILES for 2-(4-butoxyphenyl)-5-[(4-propylphenyl)methoxy]pyrazine is CCCCOc1ccc(-c2cnc(OCc3ccc(CCC)cc3)cn2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-5-[(4-propylphenyl)methoxy]pyrazine?
The InChIKey is KRLBNZNXVWKYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-3-5-15-27-22-13-11-21(12-14-22)23-16-26-24(17-25-23)28-18-20-9-7-19(6-4-2)8-10-20/h7-14,16-17H,3-6,15,18H2,1-2H3.
What are the key properties of 2-(4-butoxyphenyl)-5-[(4-propylphenyl)methoxy]pyrazine?
2-(4-butoxyphenyl)-5-[(4-propylphenyl)methoxy]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-butoxyphenyl)-5-[(4-propylphenyl)methoxy]pyrazine is sourced from PubChem (CID 19859377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).