2,6-dimethyl-3-(2-methylphenyl)-5-naphthalen-1-ylpyrazine

C23H20N2 — CID 145390440

IUPAC2,6-dimethyl-3-(2-methylphenyl)-5-naphthalen-1-ylpyrazine
SMILESCc1ccccc1-c1nc(-c2cccc3ccccc23)c(C)nc1C
InChIInChI=1S/C23H20N2/c1-15-9-4-6-12-19(15)22-16(2)24-17(3)23(25-22)21-14-8-11-18-10-5-7-13-20(18)21/h4-14H,1-3H3
InChIKeyKBMCDXMREIOWJR-UHFFFAOYSA-N
MW324.43 g/mol
LogP5.89
Rot. Bonds2

About 2,6-dimethyl-3-(2-methylphenyl)-5-naphthalen-1-ylpyrazine

2,6-dimethyl-3-(2-methylphenyl)-5-naphthalen-1-ylpyrazine (PubChem CID 145390440) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2,6-dimethyl-3-(2-methylphenyl)-5-naphthalen-1-ylpyrazine.

Molecular Properties

Compound Name2,6-dimethyl-3-(2-methylphenyl)-5-naphthalen-1-ylpyrazine
PubChem CID145390440
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC Name2,6-dimethyl-3-(2-methylphenyl)-5-naphthalen-1-ylpyrazine
SMILESCc1ccccc1-c1nc(-c2cccc3ccccc23)c(C)nc1C
InChIInChI=1S/C23H20N2/c1-15-9-4-6-12-19(15)22-16(2)24-17(3)23(25-22)21-14-8-11-18-10-5-7-13-20(18)21/h4-14H,1-3H3
InChIKeyKBMCDXMREIOWJR-UHFFFAOYSA-N
XLogP5.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-(2-methylphenyl)-5-naphthalen-1-ylpyrazine?
The IUPAC name of 2,6-dimethyl-3-(2-methylphenyl)-5-naphthalen-1-ylpyrazine (CID 145390440) is 2,6-dimethyl-3-(2-methylphenyl)-5-naphthalen-1-ylpyrazine.
What is the SMILES notation for 2,6-dimethyl-3-(2-methylphenyl)-5-naphthalen-1-ylpyrazine?
The canonical SMILES for 2,6-dimethyl-3-(2-methylphenyl)-5-naphthalen-1-ylpyrazine is Cc1ccccc1-c1nc(-c2cccc3ccccc23)c(C)nc1C.
What is the InChIKey of 2,6-dimethyl-3-(2-methylphenyl)-5-naphthalen-1-ylpyrazine?
The InChIKey is KBMCDXMREIOWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2/c1-15-9-4-6-12-19(15)22-16(2)24-17(3)23(25-22)21-14-8-11-18-10-5-7-13-20(18)21/h4-14H,1-3H3.
What are the key properties of 2,6-dimethyl-3-(2-methylphenyl)-5-naphthalen-1-ylpyrazine?
2,6-dimethyl-3-(2-methylphenyl)-5-naphthalen-1-ylpyrazine has a molecular weight of 324.43 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-(2-methylphenyl)-5-naphthalen-1-ylpyrazine is sourced from PubChem (CID 145390440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).