6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-amine

C22H23N3O2 — CID 16749543

IUPAC6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-amine
SMILESCC(C)(C)c1ccc(-c2cncc(Nc3ccc4c(c3)OCCO4)n2)cc1
InChIInChI=1S/C22H23N3O2/c1-22(2,3)16-6-4-15(5-7-16)18-13-23-14-21(25-18)24-17-8-9-19-20(12-17)27-11-10-26-19/h4-9,12-14H,10-11H2,1-3H3,(H,24,25)
InChIKeyBJVNWCGYGFLIFA-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.96
Rot. Bonds3

About 6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-amine

6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-amine (PubChem CID 16749543) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-amine
PubChem CID16749543
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-amine
SMILESCC(C)(C)c1ccc(-c2cncc(Nc3ccc4c(c3)OCCO4)n2)cc1
InChIInChI=1S/C22H23N3O2/c1-22(2,3)16-6-4-15(5-7-16)18-13-23-14-21(25-18)24-17-8-9-19-20(12-17)27-11-10-26-19/h4-9,12-14H,10-11H2,1-3H3,(H,24,25)
InChIKeyBJVNWCGYGFLIFA-UHFFFAOYSA-N
XLogP4.96
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-amine?
The IUPAC name of 6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-amine (CID 16749543) is 6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-amine.
What is the SMILES notation for 6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-amine?
The canonical SMILES for 6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-amine is CC(C)(C)c1ccc(-c2cncc(Nc3ccc4c(c3)OCCO4)n2)cc1.
What is the InChIKey of 6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-amine?
The InChIKey is BJVNWCGYGFLIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-22(2,3)16-6-4-15(5-7-16)18-13-23-14-21(25-18)24-17-8-9-19-20(12-17)27-11-10-26-19/h4-9,12-14H,10-11H2,1-3H3,(H,24,25).
What are the key properties of 6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-amine?
6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-amine has a molecular weight of 361.45 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-amine is sourced from PubChem (CID 16749543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).