3-bromo-6-(2,6-dimethylphenyl)pyrazin-2-amine

C12H12BrN3 — CID 163248384

IUPAC3-bromo-6-(2,6-dimethylphenyl)pyrazin-2-amine
SMILESCc1cccc(C)c1-c1cnc(Br)c(N)n1
InChIInChI=1S/C12H12BrN3/c1-7-4-3-5-8(2)10(7)9-6-15-11(13)12(14)16-9/h3-6H,1-2H3,(H2,14,16)
InChIKeyYIPZFHVXVYGOGX-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.11
Rot. Bonds1

About 3-bromo-6-(2,6-dimethylphenyl)pyrazin-2-amine

3-bromo-6-(2,6-dimethylphenyl)pyrazin-2-amine (PubChem CID 163248384) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 3-bromo-6-(2,6-dimethylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-bromo-6-(2,6-dimethylphenyl)pyrazin-2-amine
PubChem CID163248384
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name3-bromo-6-(2,6-dimethylphenyl)pyrazin-2-amine
SMILESCc1cccc(C)c1-c1cnc(Br)c(N)n1
InChIInChI=1S/C12H12BrN3/c1-7-4-3-5-8(2)10(7)9-6-15-11(13)12(14)16-9/h3-6H,1-2H3,(H2,14,16)
InChIKeyYIPZFHVXVYGOGX-UHFFFAOYSA-N
XLogP3.11
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(2,6-dimethylphenyl)pyrazin-2-amine?
The IUPAC name of 3-bromo-6-(2,6-dimethylphenyl)pyrazin-2-amine (CID 163248384) is 3-bromo-6-(2,6-dimethylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-bromo-6-(2,6-dimethylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-bromo-6-(2,6-dimethylphenyl)pyrazin-2-amine is Cc1cccc(C)c1-c1cnc(Br)c(N)n1.
What is the InChIKey of 3-bromo-6-(2,6-dimethylphenyl)pyrazin-2-amine?
The InChIKey is YIPZFHVXVYGOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-7-4-3-5-8(2)10(7)9-6-15-11(13)12(14)16-9/h3-6H,1-2H3,(H2,14,16).
What are the key properties of 3-bromo-6-(2,6-dimethylphenyl)pyrazin-2-amine?
3-bromo-6-(2,6-dimethylphenyl)pyrazin-2-amine has a molecular weight of 278.15 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(2,6-dimethylphenyl)pyrazin-2-amine is sourced from PubChem (CID 163248384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).