5-(2-tert-butyl-4-methylphenoxy)pyrazin-2-amine

C15H19N3O — CID 80664283

IUPAC5-(2-tert-butyl-4-methylphenoxy)pyrazin-2-amine
SMILESCc1ccc(Oc2cnc(N)cn2)c(C(C)(C)C)c1
InChIInChI=1S/C15H19N3O/c1-10-5-6-12(11(7-10)15(2,3)4)19-14-9-17-13(16)8-18-14/h5-9H,1-4H3,(H2,16,17)
InChIKeyXHFLKZZINLUTGQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.46
Rot. Bonds2

About 5-(2-tert-butyl-4-methylphenoxy)pyrazin-2-amine

5-(2-tert-butyl-4-methylphenoxy)pyrazin-2-amine (PubChem CID 80664283) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-(2-tert-butyl-4-methylphenoxy)pyrazin-2-amine.

Molecular Properties

Compound Name5-(2-tert-butyl-4-methylphenoxy)pyrazin-2-amine
PubChem CID80664283
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-(2-tert-butyl-4-methylphenoxy)pyrazin-2-amine
SMILESCc1ccc(Oc2cnc(N)cn2)c(C(C)(C)C)c1
InChIInChI=1S/C15H19N3O/c1-10-5-6-12(11(7-10)15(2,3)4)19-14-9-17-13(16)8-18-14/h5-9H,1-4H3,(H2,16,17)
InChIKeyXHFLKZZINLUTGQ-UHFFFAOYSA-N
XLogP3.46
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butyl-4-methylphenoxy)pyrazin-2-amine?
The IUPAC name of 5-(2-tert-butyl-4-methylphenoxy)pyrazin-2-amine (CID 80664283) is 5-(2-tert-butyl-4-methylphenoxy)pyrazin-2-amine.
What is the SMILES notation for 5-(2-tert-butyl-4-methylphenoxy)pyrazin-2-amine?
The canonical SMILES for 5-(2-tert-butyl-4-methylphenoxy)pyrazin-2-amine is Cc1ccc(Oc2cnc(N)cn2)c(C(C)(C)C)c1.
What is the InChIKey of 5-(2-tert-butyl-4-methylphenoxy)pyrazin-2-amine?
The InChIKey is XHFLKZZINLUTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-5-6-12(11(7-10)15(2,3)4)19-14-9-17-13(16)8-18-14/h5-9H,1-4H3,(H2,16,17).
What are the key properties of 5-(2-tert-butyl-4-methylphenoxy)pyrazin-2-amine?
5-(2-tert-butyl-4-methylphenoxy)pyrazin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butyl-4-methylphenoxy)pyrazin-2-amine is sourced from PubChem (CID 80664283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).