5-(4-tert-butyl-3-phenylmethoxyphenyl)pyrazin-2-amine

C21H23N3O — CID 90311052

IUPAC5-(4-tert-butyl-3-phenylmethoxyphenyl)pyrazin-2-amine
SMILESCC(C)(C)c1ccc(-c2cnc(N)cn2)cc1OCc1ccccc1
InChIInChI=1S/C21H23N3O/c1-21(2,3)17-10-9-16(18-12-24-20(22)13-23-18)11-19(17)25-14-15-7-5-4-6-8-15/h4-13H,14H2,1-3H3,(H2,22,24)
InChIKeyAUVLOUITKKUURT-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.60
Rot. Bonds4

About 5-(4-tert-butyl-3-phenylmethoxyphenyl)pyrazin-2-amine

5-(4-tert-butyl-3-phenylmethoxyphenyl)pyrazin-2-amine (PubChem CID 90311052) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-(4-tert-butyl-3-phenylmethoxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(4-tert-butyl-3-phenylmethoxyphenyl)pyrazin-2-amine
PubChem CID90311052
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name5-(4-tert-butyl-3-phenylmethoxyphenyl)pyrazin-2-amine
SMILESCC(C)(C)c1ccc(-c2cnc(N)cn2)cc1OCc1ccccc1
InChIInChI=1S/C21H23N3O/c1-21(2,3)17-10-9-16(18-12-24-20(22)13-23-18)11-19(17)25-14-15-7-5-4-6-8-15/h4-13H,14H2,1-3H3,(H2,22,24)
InChIKeyAUVLOUITKKUURT-UHFFFAOYSA-N
XLogP4.60
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-3-phenylmethoxyphenyl)pyrazin-2-amine?
The IUPAC name of 5-(4-tert-butyl-3-phenylmethoxyphenyl)pyrazin-2-amine (CID 90311052) is 5-(4-tert-butyl-3-phenylmethoxyphenyl)pyrazin-2-amine.
What is the SMILES notation for 5-(4-tert-butyl-3-phenylmethoxyphenyl)pyrazin-2-amine?
The canonical SMILES for 5-(4-tert-butyl-3-phenylmethoxyphenyl)pyrazin-2-amine is CC(C)(C)c1ccc(-c2cnc(N)cn2)cc1OCc1ccccc1.
What is the InChIKey of 5-(4-tert-butyl-3-phenylmethoxyphenyl)pyrazin-2-amine?
The InChIKey is AUVLOUITKKUURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-21(2,3)17-10-9-16(18-12-24-20(22)13-23-18)11-19(17)25-14-15-7-5-4-6-8-15/h4-13H,14H2,1-3H3,(H2,22,24).
What are the key properties of 5-(4-tert-butyl-3-phenylmethoxyphenyl)pyrazin-2-amine?
5-(4-tert-butyl-3-phenylmethoxyphenyl)pyrazin-2-amine has a molecular weight of 333.44 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butyl-3-phenylmethoxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 90311052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).