5-bromo-3-(3,4-dimethoxyphenyl)pyrazin-2-amine

C12H12BrN3O2 — CID 86000885

IUPAC5-bromo-3-(3,4-dimethoxyphenyl)pyrazin-2-amine
SMILESCOc1ccc(-c2nc(Br)cnc2N)cc1OC
InChIInChI=1S/C12H12BrN3O2/c1-17-8-4-3-7(5-9(8)18-2)11-12(14)15-6-10(13)16-11/h3-6H,1-2H3,(H2,14,15)
InChIKeyAUFPMYUSAXVJEZ-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.51
Rot. Bonds3

About 5-bromo-3-(3,4-dimethoxyphenyl)pyrazin-2-amine

5-bromo-3-(3,4-dimethoxyphenyl)pyrazin-2-amine (PubChem CID 86000885) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 5-bromo-3-(3,4-dimethoxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(3,4-dimethoxyphenyl)pyrazin-2-amine
PubChem CID86000885
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name5-bromo-3-(3,4-dimethoxyphenyl)pyrazin-2-amine
SMILESCOc1ccc(-c2nc(Br)cnc2N)cc1OC
InChIInChI=1S/C12H12BrN3O2/c1-17-8-4-3-7(5-9(8)18-2)11-12(14)15-6-10(13)16-11/h3-6H,1-2H3,(H2,14,15)
InChIKeyAUFPMYUSAXVJEZ-UHFFFAOYSA-N
XLogP2.51
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazin-2-amine
CID 142945202
4,5,10,11,16,17-hexakis(3,4-dimethoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 101071642
3-(3-bromo-4-methoxyphenyl)pyrazin-2-amine
CID 112559163
5-chloro-6-(3,4-dimethoxyphenyl)pyridin-3-amine
CID 166595375
2-(3,4-dimethoxyphenyl)pyrimidin-5-amine
CID 43142283
3-(3,4-dimethoxyphenyl)quinolin-2-amine
CID 1480774
2-(3,4-dimethoxyphenyl)pyridin-3-amine
CID 23075532
5-bromo-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 107922895
3-(5-amino-3-fluoro-2-pyridinyl)-5-(3,4-dimethoxyphenyl)pyridin-2-amine
CID 129110698
4-bromo-3,5-bis(3,4-dimethoxyphenyl)-1,2-oxazole
CID 19585869
4-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-amine
CID 63867126
5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 40773451

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3,4-dimethoxyphenyl)pyrazin-2-amine?
The IUPAC name of 5-bromo-3-(3,4-dimethoxyphenyl)pyrazin-2-amine (CID 86000885) is 5-bromo-3-(3,4-dimethoxyphenyl)pyrazin-2-amine.
What is the SMILES notation for 5-bromo-3-(3,4-dimethoxyphenyl)pyrazin-2-amine?
The canonical SMILES for 5-bromo-3-(3,4-dimethoxyphenyl)pyrazin-2-amine is COc1ccc(-c2nc(Br)cnc2N)cc1OC.
What is the InChIKey of 5-bromo-3-(3,4-dimethoxyphenyl)pyrazin-2-amine?
The InChIKey is AUFPMYUSAXVJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-17-8-4-3-7(5-9(8)18-2)11-12(14)15-6-10(13)16-11/h3-6H,1-2H3,(H2,14,15).
What are the key properties of 5-bromo-3-(3,4-dimethoxyphenyl)pyrazin-2-amine?
5-bromo-3-(3,4-dimethoxyphenyl)pyrazin-2-amine has a molecular weight of 310.15 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3,4-dimethoxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 86000885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).