3-bromo-6-methylpyridin-2-amine;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane

C33H50BBrN6O2 — CID 167710651

About 3-bromo-6-methylpyridin-2-amine;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane

3-bromo-6-methylpyridin-2-amine;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane (PubChem CID 167710651) has the molecular formula C33H50BBrN6O2 and a molecular weight of 653.52 g/mol. Its IUPAC name is 3-bromo-6-methylpyridin-2-amine;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 3-bromo-6-methylpyridin-2-amine;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
• PubChem CID: 167710651
• Molecular Formula: C33H50BBrN6O2
• Molecular Weight: 653.52 g/mol
• Exact Mass: 652.33
• IUPAC Name: 3-bromo-6-methylpyridin-2-amine;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
• SMILES: C=C(C)B1OC(C)(C)C(C)(C)O1.C=C(C)c1ccc(C)nc1N.Cc1ccc(Br)c(N)n1.Cc1ccc(C(C)C)c(N)n1
• InChI: InChI=1S/C9H17BO2.C9H14N2.C9H12N2.C6H7BrN2/c1-7(2)10-11-8(3,4)9(5,6)12-10;2*1-6(2)8-5-4-7(3)11-9(8)10;1-4-2-3-5(7)6(8)9-4/h1H2,2-6H3;4-6H,1-3H3,(H2,10,11);4-5H,1H2,2-3H3,(H2,10,11);2-3H,1H3,(H2,8,9)
• InChIKey: ZUCRVUJQYKAOEB-UHFFFAOYSA-N
• XLogP: 8.03
• TPSA: 135.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	653.52
LogP ≤ 5	8.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methylpyridin-2-amine;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane?

The IUPAC name of 3-bromo-6-methylpyridin-2-amine;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane (CID 167710651) is 3-bromo-6-methylpyridin-2-amine;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane.

What is the SMILES notation for 3-bromo-6-methylpyridin-2-amine;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane?

The canonical SMILES for 3-bromo-6-methylpyridin-2-amine;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane is C=C(C)B1OC(C)(C)C(C)(C)O1.C=C(C)c1ccc(C)nc1N.Cc1ccc(Br)c(N)n1.Cc1ccc(C(C)C)c(N)n1.

What is the InChIKey of 3-bromo-6-methylpyridin-2-amine;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane?

The InChIKey is ZUCRVUJQYKAOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BO2.C9H14N2.C9H12N2.C6H7BrN2/c1-7(2)10-11-8(3,4)9(5,6)12-10;2*1-6(2)8-5-4-7(3)11-9(8)10;1-4-2-3-5(7)6(8)9-4/h1H2,2-6H3;4-6H,1-3H3,(H2,10,11);4-5H,1H2,2-3H3,(H2,10,11);2-3H,1H3,(H2,8,9).

What are the key properties of 3-bromo-6-methylpyridin-2-amine;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane?

3-bromo-6-methylpyridin-2-amine;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane has a molecular weight of 653.52 g/mol, XLogP of 8.03, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-6-methylpyridin-2-amine;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane is sourced from PubChem (CID 167710651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).