N-(2-methoxy-6-methylphenyl)-1-phenyl-1-pyrazin-2-ylmethanimine

C19H17N3O — CID 90458794

IUPACN-(2-methoxy-6-methylphenyl)-1-phenyl-1-pyrazin-2-ylmethanimine
SMILESCOc1cccc(C)c1/N=C(\c1ccccc1)c1cnccn1
InChIInChI=1S/C19H17N3O/c1-14-7-6-10-17(23-2)18(14)22-19(15-8-4-3-5-9-15)16-13-20-11-12-21-16/h3-13H,1-2H3/b22-19+
InChIKeySKKGIWOICKBYHT-ZBJSNUHESA-N
MW303.37 g/mol
LogP3.96
Rot. Bonds4

About N-(2-methoxy-6-methylphenyl)-1-phenyl-1-pyrazin-2-ylmethanimine

N-(2-methoxy-6-methylphenyl)-1-phenyl-1-pyrazin-2-ylmethanimine (PubChem CID 90458794) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(2-methoxy-6-methylphenyl)-1-phenyl-1-pyrazin-2-ylmethanimine.

Molecular Properties

Compound NameN-(2-methoxy-6-methylphenyl)-1-phenyl-1-pyrazin-2-ylmethanimine
PubChem CID90458794
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC NameN-(2-methoxy-6-methylphenyl)-1-phenyl-1-pyrazin-2-ylmethanimine
SMILESCOc1cccc(C)c1/N=C(\c1ccccc1)c1cnccn1
InChIInChI=1S/C19H17N3O/c1-14-7-6-10-17(23-2)18(14)22-19(15-8-4-3-5-9-15)16-13-20-11-12-21-16/h3-13H,1-2H3/b22-19+
InChIKeySKKGIWOICKBYHT-ZBJSNUHESA-N
XLogP3.96
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-6-methylphenyl)-1-phenyl-1-pyrazin-2-ylmethanimine?
The IUPAC name of N-(2-methoxy-6-methylphenyl)-1-phenyl-1-pyrazin-2-ylmethanimine (CID 90458794) is N-(2-methoxy-6-methylphenyl)-1-phenyl-1-pyrazin-2-ylmethanimine.
What is the SMILES notation for N-(2-methoxy-6-methylphenyl)-1-phenyl-1-pyrazin-2-ylmethanimine?
The canonical SMILES for N-(2-methoxy-6-methylphenyl)-1-phenyl-1-pyrazin-2-ylmethanimine is COc1cccc(C)c1/N=C(\c1ccccc1)c1cnccn1.
What is the InChIKey of N-(2-methoxy-6-methylphenyl)-1-phenyl-1-pyrazin-2-ylmethanimine?
The InChIKey is SKKGIWOICKBYHT-ZBJSNUHESA-N. The full InChI is InChI=1S/C19H17N3O/c1-14-7-6-10-17(23-2)18(14)22-19(15-8-4-3-5-9-15)16-13-20-11-12-21-16/h3-13H,1-2H3/b22-19+.
What are the key properties of N-(2-methoxy-6-methylphenyl)-1-phenyl-1-pyrazin-2-ylmethanimine?
N-(2-methoxy-6-methylphenyl)-1-phenyl-1-pyrazin-2-ylmethanimine has a molecular weight of 303.37 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-6-methylphenyl)-1-phenyl-1-pyrazin-2-ylmethanimine is sourced from PubChem (CID 90458794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).