2-(4-methoxyphenyl)-5-[(4-propylcyclohexyl)methoxy]pyrazine

C21H28N2O2 — CID 70499663

IUPAC2-(4-methoxyphenyl)-5-[(4-propylcyclohexyl)methoxy]pyrazine
SMILESCCCC1CCC(COc2cnc(-c3ccc(OC)cc3)cn2)CC1
InChIInChI=1S/C21H28N2O2/c1-3-4-16-5-7-17(8-6-16)15-25-21-14-22-20(13-23-21)18-9-11-19(24-2)12-10-18/h9-14,16-17H,3-8,15H2,1-2H3
InChIKeyNNLRQUUNNKDYMT-UHFFFAOYSA-N
MW340.47 g/mol
LogP5.14
Rot. Bonds7

About 2-(4-methoxyphenyl)-5-[(4-propylcyclohexyl)methoxy]pyrazine

2-(4-methoxyphenyl)-5-[(4-propylcyclohexyl)methoxy]pyrazine (PubChem CID 70499663) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[(4-propylcyclohexyl)methoxy]pyrazine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[(4-propylcyclohexyl)methoxy]pyrazine
PubChem CID70499663
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-(4-methoxyphenyl)-5-[(4-propylcyclohexyl)methoxy]pyrazine
SMILESCCCC1CCC(COc2cnc(-c3ccc(OC)cc3)cn2)CC1
InChIInChI=1S/C21H28N2O2/c1-3-4-16-5-7-17(8-6-16)15-25-21-14-22-20(13-23-21)18-9-11-19(24-2)12-10-18/h9-14,16-17H,3-8,15H2,1-2H3
InChIKeyNNLRQUUNNKDYMT-UHFFFAOYSA-N
XLogP5.14
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxyphenyl)-5-[(4-propylcyclohexyl)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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[(4-propylcyclohexyl)methoxy]pyrazine?
The IUPAC name of 2-(4-methoxyphenyl)-5-[(4-propylcyclohexyl)methoxy]pyrazine (CID 70499663) is 2-(4-methoxyphenyl)-5-[(4-propylcyclohexyl)methoxy]pyrazine.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[(4-propylcyclohexyl)methoxy]pyrazine?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[(4-propylcyclohexyl)methoxy]pyrazine is CCCC1CCC(COc2cnc(-c3ccc(OC)cc3)cn2)CC1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[(4-propylcyclohexyl)methoxy]pyrazine?
The InChIKey is NNLRQUUNNKDYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-3-4-16-5-7-17(8-6-16)15-25-21-14-22-20(13-23-21)18-9-11-19(24-2)12-10-18/h9-14,16-17H,3-8,15H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[(4-propylcyclohexyl)methoxy]pyrazine?
2-(4-methoxyphenyl)-5-[(4-propylcyclohexyl)methoxy]pyrazine has a molecular weight of 340.47 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[(4-propylcyclohexyl)methoxy]pyrazine is sourced from PubChem (CID 70499663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).