5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine;6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine;quinolin-6-ylboronic acid

C54H50B2BrClN14O8 — CID 159293171

About 5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine;6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine;quinolin-6-ylboronic acid

5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine;6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine;quinolin-6-ylboronic acid (PubChem CID 159293171) has the molecular formula C54H50B2BrClN14O8 and a molecular weight of 1160.06 g/mol. Its IUPAC name is 5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine;6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine;quinolin-6-ylboronic acid.

Molecular Properties

• Compound Name: 5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine;6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine;quinolin-6-ylboronic acid
• PubChem CID: 159293171
• Molecular Formula: C54H50B2BrClN14O8
• Molecular Weight: 1160.06 g/mol
• Exact Mass: 1158.30
• IUPAC Name: 5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine;6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine;quinolin-6-ylboronic acid
• SMILES: Cc1ccc(-c2cncc(N)n2)o1.Cc1ccc(-c2nc(N)cnc2-c2ccc3ncccc3c2)o1.Cc1ccc(-c2nc(N)cnc2Br)o1.Cc1ccc(B(O)O)o1.Nc1cncc(Cl)n1.OB(O)c1ccc2ncccc2c1
• InChI: InChI=1S/C18H14N4O.C9H8BNO2.C9H8BrN3O.C9H9N3O.C5H7BO3.C4H4ClN3/c1-11-4-7-15(23-11)18-17(21-10-16(19)22-18)13-5-6-14-12(9-13)3-2-8-20-14;12-10(13)8-3-4-9-7(6-8)2-1-5-11-9;1-5-2-3-6(14-5)8-9(10)12-4-7(11)13-8;1-6-2-3-8(13-6)7-4-11-5-9(10)12-7;1-4-2-3-5(9-4)6(7)8;5-3-1-7-2-4(6)8-3/h2-10H,1H3,(H2,19,22);1-6,12-13H;2-4H,1H3,(H2,11,13);2-5H,1H3,(H2,10,12);2-3,7-8H,1H3;1-2H,(H2,6,8)
• InChIKey: LAJOOZOTAXCIGY-UHFFFAOYSA-N
• XLogP: 7.75
• TPSA: 366.46 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 6
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1160.06
LogP ≤ 5	7.75
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine;6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine;quinolin-6-ylboronic acid?

The IUPAC name of 5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine;6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine;quinolin-6-ylboronic acid (CID 159293171) is 5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine;6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine;quinolin-6-ylboronic acid.

What is the SMILES notation for 5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine;6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine;quinolin-6-ylboronic acid?

The canonical SMILES for 5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine;6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine;quinolin-6-ylboronic acid is Cc1ccc(-c2cncc(N)n2)o1.Cc1ccc(-c2nc(N)cnc2-c2ccc3ncccc3c2)o1.Cc1ccc(-c2nc(N)cnc2Br)o1.Cc1ccc(B(O)O)o1.Nc1cncc(Cl)n1.OB(O)c1ccc2ncccc2c1.

What is the InChIKey of 5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine;6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine;quinolin-6-ylboronic acid?

The InChIKey is LAJOOZOTAXCIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O.C9H8BNO2.C9H8BrN3O.C9H9N3O.C5H7BO3.C4H4ClN3/c1-11-4-7-15(23-11)18-17(21-10-16(19)22-18)13-5-6-14-12(9-13)3-2-8-20-14;12-10(13)8-3-4-9-7(6-8)2-1-5-11-9;1-5-2-3-6(14-5)8-9(10)12-4-7(11)13-8;1-6-2-3-8(13-6)7-4-11-5-9(10)12-7;1-4-2-3-5(9-4)6(7)8;5-3-1-7-2-4(6)8-3/h2-10H,1H3,(H2,19,22);1-6,12-13H;2-4H,1H3,(H2,11,13);2-5H,1H3,(H2,10,12);2-3,7-8H,1H3;1-2H,(H2,6,8).

What are the key properties of 5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine;6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine;quinolin-6-ylboronic acid?

5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine;6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine;quinolin-6-ylboronic acid has a molecular weight of 1160.06 g/mol, XLogP of 7.75, 6 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-(5-methylfuran-2-yl)pyrazin-2-amine;6-chloropyrazin-2-amine;(5-methylfuran-2-yl)boronic acid;6-(5-methylfuran-2-yl)pyrazin-2-amine;6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine;quinolin-6-ylboronic acid is sourced from PubChem (CID 159293171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).