6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine

C13H14BrN3O — CID 113303072

IUPAC6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine
SMILESCC(C)c1cc(Br)ccc1Oc1cncc(N)n1
InChIInChI=1S/C13H14BrN3O/c1-8(2)10-5-9(14)3-4-11(10)18-13-7-16-6-12(15)17-13/h3-8H,1-2H3,(H2,15,17)
InChIKeyOEIWXWWSGKKJIH-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.74
Rot. Bonds3

About 6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine

6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine (PubChem CID 113303072) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine.

Molecular Properties

Compound Name6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine
PubChem CID113303072
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine
SMILESCC(C)c1cc(Br)ccc1Oc1cncc(N)n1
InChIInChI=1S/C13H14BrN3O/c1-8(2)10-5-9(14)3-4-11(10)18-13-7-16-6-12(15)17-13/h3-8H,1-2H3,(H2,15,17)
InChIKeyOEIWXWWSGKKJIH-UHFFFAOYSA-N
XLogP3.74
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-bromo-2-propan-2-ylphenoxy)-N-methylpyrazin-2-amine
CID 115403123
5-bromo-4-(4-bromo-2-propan-2-ylphenoxy)pyridin-3-amine
CID 103518830
4-(4-bromo-2-propan-2-ylphenoxy)pyrimidin-2-amine
CID 113303074
2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 113302880
6-(4-bromo-2-propan-2-ylphenoxy)-2-methoxypyridin-3-amine
CID 115401558
6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine
CID 115403080
[6-(4-bromo-2-propan-2-ylphenoxy)-3-chloro-2-pyridinyl]methanamine
CID 115402686
(4-bromo-2-propan-2-ylphenoxy)-trimethylsilane
CID 167738069
2-(4-bromo-2-propan-2-ylphenoxy)-4,5-dichloroaniline
CID 115401583
3-(4-bromo-2-propan-2-ylphenoxy)-6-(chloromethyl)pyridazine
CID 113303012
3-(4-bromo-2-propan-2-ylphenoxy)-2,5-dimethylpyrazine
CID 113302971
4-(4-bromo-2-propan-2-ylphenoxy)cinnoline
CID 115402133

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine?
The IUPAC name of 6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine (CID 113303072) is 6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine.
What is the SMILES notation for 6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine?
The canonical SMILES for 6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine is CC(C)c1cc(Br)ccc1Oc1cncc(N)n1.
What is the InChIKey of 6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine?
The InChIKey is OEIWXWWSGKKJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-8(2)10-5-9(14)3-4-11(10)18-13-7-16-6-12(15)17-13/h3-8H,1-2H3,(H2,15,17).
What are the key properties of 6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine?
6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine has a molecular weight of 308.18 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine is sourced from PubChem (CID 113303072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).