5-bromo-6-methoxypyridin-2-amine;2-chlorobenzenesulfinate;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline

C89H103BBrCl3F2N15O11S3- — CID 157137732

About 5-bromo-6-methoxypyridin-2-amine;2-chlorobenzenesulfinate;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline

5-bromo-6-methoxypyridin-2-amine;2-chlorobenzenesulfinate;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline (PubChem CID 157137732) has the molecular formula C89H103BBrCl3F2N15O11S3- and a molecular weight of 1890.17 g/mol. Its IUPAC name is 5-bromo-6-methoxypyridin-2-amine;2-chlorobenzenesulfinate;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline.

Molecular Properties

• Compound Name: 5-bromo-6-methoxypyridin-2-amine;2-chlorobenzenesulfinate;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
• PubChem CID: 157137732
• Molecular Formula: C89H103BBrCl3F2N15O11S3-
• Molecular Weight: 1890.17 g/mol
• Exact Mass: 1886.54
• IUPAC Name: 5-bromo-6-methoxypyridin-2-amine;2-chlorobenzenesulfinate;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
• SMILES: CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(F)nc12.CCc1cc(-c2ccc(NS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(NC3CCC(N(C)C)CC3)nc12.CCc1cc(B2OC(C)(C)C(C)(C)O2)cc2cnc(F)nc12.CN(C)C1CCC(N)CC1.COc1nc(N)ccc1Br.O=S([O-])c1ccccc1Cl
• InChI: InChI=1S/C30H35ClN6O3S.C23H19ClFN3O3S.C16H20BFN2O2.C8H18N2.C6H7BrN2O.C6H5ClO2S/c1-5-19-16-20(17-21-18-32-30(35-28(19)21)33-22-10-12-23(13-11-22)37(2)3)24-14-15-27(34-29(24)40-4)36-41(38,39)26-9-7-6-8-25(26)31;1-3-14-10-15(11-16-12-26-23(25)28-21(14)16)18-9-8-17(27-22(18)31-2)13-32(29,30)20-7-5-4-6-19(20)24;1-6-10-7-12(8-11-9-19-14(18)20-13(10)11)17-21-15(2,3)16(4,5)22-17;1-10(2)8-5-3-7(9)4-6-8;1-10-6-4(7)2-3-5(8)9-6;7-5-3-1-2-4-6(5)10(8)9/h6-9,14-18,22-23H,5,10-13H2,1-4H3,(H,34,36)(H,32,33,35);4-12H,3,13H2,1-2H3;7-9H,6H2,1-5H3;7-8H,3-6,9H2,1-2H3;2-3H,1H3,(H2,8,9);1-4H,(H,8,9)/p-1
• InChIKey: UYMQJTLWGQFKLI-UHFFFAOYSA-M
• XLogP: 17.49
• TPSA: 353.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1890.17
LogP ≤ 5	17.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methoxypyridin-2-amine;2-chlorobenzenesulfinate;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline?

The IUPAC name of 5-bromo-6-methoxypyridin-2-amine;2-chlorobenzenesulfinate;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline (CID 157137732) is 5-bromo-6-methoxypyridin-2-amine;2-chlorobenzenesulfinate;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline.

What is the SMILES notation for 5-bromo-6-methoxypyridin-2-amine;2-chlorobenzenesulfinate;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline?

The canonical SMILES for 5-bromo-6-methoxypyridin-2-amine;2-chlorobenzenesulfinate;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline is CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(F)nc12.CCc1cc(-c2ccc(NS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(NC3CCC(N(C)C)CC3)nc12.CCc1cc(B2OC(C)(C)C(C)(C)O2)cc2cnc(F)nc12.CN(C)C1CCC(N)CC1.COc1nc(N)ccc1Br.O=S([O-])c1ccccc1Cl.

What is the InChIKey of 5-bromo-6-methoxypyridin-2-amine;2-chlorobenzenesulfinate;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline?

The InChIKey is UYMQJTLWGQFKLI-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H35ClN6O3S.C23H19ClFN3O3S.C16H20BFN2O2.C8H18N2.C6H7BrN2O.C6H5ClO2S/c1-5-19-16-20(17-21-18-32-30(35-28(19)21)33-22-10-12-23(13-11-22)37(2)3)24-14-15-27(34-29(24)40-4)36-41(38,39)26-9-7-6-8-25(26)31;1-3-14-10-15(11-16-12-26-23(25)28-21(14)16)18-9-8-17(27-22(18)31-2)13-32(29,30)20-7-5-4-6-19(20)24;1-6-10-7-12(8-11-9-19-14(18)20-13(10)11)17-21-15(2,3)16(4,5)22-17;1-10(2)8-5-3-7(9)4-6-8;1-10-6-4(7)2-3-5(8)9-6;7-5-3-1-2-4-6(5)10(8)9/h6-9,14-18,22-23H,5,10-13H2,1-4H3,(H,34,36)(H,32,33,35);4-12H,3,13H2,1-2H3;7-9H,6H2,1-5H3;7-8H,3-6,9H2,1-2H3;2-3H,1H3,(H2,8,9);1-4H,(H,8,9)/p-1.

What are the key properties of 5-bromo-6-methoxypyridin-2-amine;2-chlorobenzenesulfinate;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline?

5-bromo-6-methoxypyridin-2-amine;2-chlorobenzenesulfinate;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline has a molecular weight of 1890.17 g/mol, XLogP of 17.49, 20 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-methoxypyridin-2-amine;2-chlorobenzenesulfinate;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]benzenesulfonamide;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N,4-N-dimethylcyclohexane-1,4-diamine;8-ethyl-2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline is sourced from PubChem (CID 157137732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).