3,5-dimethyl-2-(4-phenoxyphenyl)pyrazine

C18H16N2O — CID 67283736

IUPAC3,5-dimethyl-2-(4-phenoxyphenyl)pyrazine
SMILESCc1cnc(-c2ccc(Oc3ccccc3)cc2)c(C)n1
InChIInChI=1S/C18H16N2O/c1-13-12-19-18(14(2)20-13)15-8-10-17(11-9-15)21-16-6-4-3-5-7-16/h3-12H,1-2H3
InChIKeyBFMHDNCDERBXMR-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.55
Rot. Bonds3

About 3,5-dimethyl-2-(4-phenoxyphenyl)pyrazine

3,5-dimethyl-2-(4-phenoxyphenyl)pyrazine (PubChem CID 67283736) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3,5-dimethyl-2-(4-phenoxyphenyl)pyrazine.

Molecular Properties

Compound Name3,5-dimethyl-2-(4-phenoxyphenyl)pyrazine
PubChem CID67283736
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name3,5-dimethyl-2-(4-phenoxyphenyl)pyrazine
SMILESCc1cnc(-c2ccc(Oc3ccccc3)cc2)c(C)n1
InChIInChI=1S/C18H16N2O/c1-13-12-19-18(14(2)20-13)15-8-10-17(11-9-15)21-16-6-4-3-5-7-16/h3-12H,1-2H3
InChIKeyBFMHDNCDERBXMR-UHFFFAOYSA-N
XLogP4.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(4-phenoxyphenyl)pyrazine?
The IUPAC name of 3,5-dimethyl-2-(4-phenoxyphenyl)pyrazine (CID 67283736) is 3,5-dimethyl-2-(4-phenoxyphenyl)pyrazine.
What is the SMILES notation for 3,5-dimethyl-2-(4-phenoxyphenyl)pyrazine?
The canonical SMILES for 3,5-dimethyl-2-(4-phenoxyphenyl)pyrazine is Cc1cnc(-c2ccc(Oc3ccccc3)cc2)c(C)n1.
What is the InChIKey of 3,5-dimethyl-2-(4-phenoxyphenyl)pyrazine?
The InChIKey is BFMHDNCDERBXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-13-12-19-18(14(2)20-13)15-8-10-17(11-9-15)21-16-6-4-3-5-7-16/h3-12H,1-2H3.
What are the key properties of 3,5-dimethyl-2-(4-phenoxyphenyl)pyrazine?
3,5-dimethyl-2-(4-phenoxyphenyl)pyrazine has a molecular weight of 276.34 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(4-phenoxyphenyl)pyrazine is sourced from PubChem (CID 67283736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).