2-bromo-6-ethylpyridine;6-bromoquinazolin-4-amine;6-(2-chlorophenyl)quinazolin-4-amine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;6-[2-(6-ethyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine

C60H56BBr2Cl2N13O2 — CID 158948645

About 2-bromo-6-ethylpyridine;6-bromoquinazolin-4-amine;6-(2-chlorophenyl)quinazolin-4-amine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;6-[2-(6-ethyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine

2-bromo-6-ethylpyridine;6-bromoquinazolin-4-amine;6-(2-chlorophenyl)quinazolin-4-amine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;6-[2-(6-ethyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine (PubChem CID 158948645) has the molecular formula C60H56BBr2Cl2N13O2 and a molecular weight of 1232.72 g/mol. Its IUPAC name is 2-bromo-6-ethylpyridine;6-bromoquinazolin-4-amine;6-(2-chlorophenyl)quinazolin-4-amine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;6-[2-(6-ethyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

• Compound Name: 2-bromo-6-ethylpyridine;6-bromoquinazolin-4-amine;6-(2-chlorophenyl)quinazolin-4-amine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;6-[2-(6-ethyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine
• PubChem CID: 158948645
• Molecular Formula: C60H56BBr2Cl2N13O2
• Molecular Weight: 1232.72 g/mol
• Exact Mass: 1229.25
• IUPAC Name: 2-bromo-6-ethylpyridine;6-bromoquinazolin-4-amine;6-(2-chlorophenyl)quinazolin-4-amine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;6-[2-(6-ethyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine
• SMILES: CC1(C)OB(c2cccnc2Cl)OC1(C)C.CCc1cccc(-c2ncccc2-c2ccc3ncnc(N)c3c2)n1.CCc1cccc(Br)n1.Nc1ncnc2ccc(-c3ccccc3Cl)cc12.Nc1ncnc2ccc(Br)cc12
• InChI: InChI=1S/C20H17N5.C14H10ClN3.C11H15BClNO2.C8H6BrN3.C7H8BrN/c1-2-14-5-3-7-18(25-14)19-15(6-4-10-22-19)13-8-9-17-16(11-13)20(21)24-12-23-17;15-12-4-2-1-3-10(12)9-5-6-13-11(7-9)14(16)18-8-17-13;1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13;9-5-1-2-7-6(3-5)8(10)12-4-11-7;1-2-6-4-3-5-7(8)9-6/h3-12H,2H2,1H3,(H2,21,23,24);1-8H,(H2,16,17,18);5-7H,1-4H3;1-4H,(H2,10,11,12);3-5H,2H2,1H3
• InChIKey: JLDJWGXUBOMDGA-UHFFFAOYSA-N
• XLogP: 13.85
• TPSA: 225.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1232.72
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-ethylpyridine;6-bromoquinazolin-4-amine;6-(2-chlorophenyl)quinazolin-4-amine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;6-[2-(6-ethyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine?

The IUPAC name of 2-bromo-6-ethylpyridine;6-bromoquinazolin-4-amine;6-(2-chlorophenyl)quinazolin-4-amine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;6-[2-(6-ethyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine (CID 158948645) is 2-bromo-6-ethylpyridine;6-bromoquinazolin-4-amine;6-(2-chlorophenyl)quinazolin-4-amine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;6-[2-(6-ethyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine.

What is the SMILES notation for 2-bromo-6-ethylpyridine;6-bromoquinazolin-4-amine;6-(2-chlorophenyl)quinazolin-4-amine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;6-[2-(6-ethyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine?

The canonical SMILES for 2-bromo-6-ethylpyridine;6-bromoquinazolin-4-amine;6-(2-chlorophenyl)quinazolin-4-amine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;6-[2-(6-ethyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine is CC1(C)OB(c2cccnc2Cl)OC1(C)C.CCc1cccc(-c2ncccc2-c2ccc3ncnc(N)c3c2)n1.CCc1cccc(Br)n1.Nc1ncnc2ccc(-c3ccccc3Cl)cc12.Nc1ncnc2ccc(Br)cc12.

What is the InChIKey of 2-bromo-6-ethylpyridine;6-bromoquinazolin-4-amine;6-(2-chlorophenyl)quinazolin-4-amine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;6-[2-(6-ethyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine?

The InChIKey is JLDJWGXUBOMDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5.C14H10ClN3.C11H15BClNO2.C8H6BrN3.C7H8BrN/c1-2-14-5-3-7-18(25-14)19-15(6-4-10-22-19)13-8-9-17-16(11-13)20(21)24-12-23-17;15-12-4-2-1-3-10(12)9-5-6-13-11(7-9)14(16)18-8-17-13;1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13;9-5-1-2-7-6(3-5)8(10)12-4-11-7;1-2-6-4-3-5-7(8)9-6/h3-12H,2H2,1H3,(H2,21,23,24);1-8H,(H2,16,17,18);5-7H,1-4H3;1-4H,(H2,10,11,12);3-5H,2H2,1H3.

What are the key properties of 2-bromo-6-ethylpyridine;6-bromoquinazolin-4-amine;6-(2-chlorophenyl)quinazolin-4-amine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;6-[2-(6-ethyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine?

2-bromo-6-ethylpyridine;6-bromoquinazolin-4-amine;6-(2-chlorophenyl)quinazolin-4-amine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;6-[2-(6-ethyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine has a molecular weight of 1232.72 g/mol, XLogP of 13.85, 6 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-ethylpyridine;6-bromoquinazolin-4-amine;6-(2-chlorophenyl)quinazolin-4-amine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;6-[2-(6-ethyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 158948645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).