5-bromo-2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidine;5-bromo-4-methoxypyrimidin-2-amine;2-chlorobenzenesulfonyl chloride;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-4-methoxypyrimidin-2-yl]benzenesulfonamide;6-[2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidin-5-yl]-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

C98H110BBr2Cl5F2N20O14S4 — CID 159249974

About 5-bromo-2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidine;5-bromo-4-methoxypyrimidin-2-amine;2-chlorobenzenesulfonyl chloride;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-4-methoxypyrimidin-2-yl]benzenesulfonamide;6-[2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidin-5-yl]-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-2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidine;5-bromo-4-methoxypyrimidin-2-amine;2-chlorobenzenesulfonyl chloride;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-4-methoxypyrimidin-2-yl]benzenesulfonamide;6-[2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidin-5-yl]-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 159249974) has the molecular formula C98H110BBr2Cl5F2N20O14S4 and a molecular weight of 2306.23 g/mol. Its IUPAC name is 5-bromo-2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidine;5-bromo-4-methoxypyrimidin-2-amine;2-chlorobenzenesulfonyl chloride;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-4-methoxypyrimidin-2-yl]benzenesulfonamide;6-[2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidin-5-yl]-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-2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidine;5-bromo-4-methoxypyrimidin-2-amine;2-chlorobenzenesulfonyl chloride;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-4-methoxypyrimidin-2-yl]benzenesulfonamide;6-[2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidin-5-yl]-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: 159249974
• Molecular Formula: C98H110BBr2Cl5F2N20O14S4
• Molecular Weight: 2306.23 g/mol
• Exact Mass: 2300.43
• IUPAC Name: 5-bromo-2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidine;5-bromo-4-methoxypyrimidin-2-amine;2-chlorobenzenesulfonyl chloride;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-4-methoxypyrimidin-2-yl]benzenesulfonamide;6-[2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidin-5-yl]-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(-c2cnc(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(F)nc12.CCc1cc(-c2cnc(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(CS(=O)(=O)c2ccccc2Cl)ncc1Br.COc1nc(N)ncc1Br.O=S(=O)(Cl)c1ccccc1Cl
• InChI: InChI=1S/C29H34ClN7O3S.C22H18ClFN4O3S.C16H20BFN2O2.C12H10BrClN2O3S.C8H18N2.C6H4Cl2O2S.C5H6BrN3O/c1-5-18-14-19(15-20-16-31-28(34-26(18)20)33-21-10-12-22(13-11-21)37(2)3)23-17-32-29(35-27(23)40-4)36-41(38,39)25-9-7-6-8-24(25)30;1-3-13-8-14(9-15-10-26-22(24)28-20(13)15)16-11-25-19(27-21(16)31-2)12-32(29,30)18-7-5-4-6-17(18)23;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;1-19-12-8(13)6-15-11(16-12)7-20(17,18)10-5-3-2-4-9(10)14;1-10(2)8-5-3-7(9)4-6-8;7-5-3-1-2-4-6(5)11(8,9)10;1-10-4-3(6)2-8-5(7)9-4/h6-9,14-17,21-22H,5,10-13H2,1-4H3,(H,31,33,34)(H,32,35,36);4-11H,3,12H2,1-2H3;7-9H,6H2,1-5H3;2-6H,7H2,1H3;7-8H,3-6,9H2,1-2H3;1-4H;2H,1H3,(H2,7,8,9)
• InChIKey: KVDZYKSKZPMVFA-UHFFFAOYSA-N
• XLogP: 19.24
• TPSA: 454.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 24
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2306.23
LogP ≤ 5	19.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidine;5-bromo-4-methoxypyrimidin-2-amine;2-chlorobenzenesulfonyl chloride;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-4-methoxypyrimidin-2-yl]benzenesulfonamide;6-[2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidin-5-yl]-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-2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidine;5-bromo-4-methoxypyrimidin-2-amine;2-chlorobenzenesulfonyl chloride;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-4-methoxypyrimidin-2-yl]benzenesulfonamide;6-[2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidin-5-yl]-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 159249974) is 5-bromo-2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidine;5-bromo-4-methoxypyrimidin-2-amine;2-chlorobenzenesulfonyl chloride;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-4-methoxypyrimidin-2-yl]benzenesulfonamide;6-[2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidin-5-yl]-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-2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidine;5-bromo-4-methoxypyrimidin-2-amine;2-chlorobenzenesulfonyl chloride;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-4-methoxypyrimidin-2-yl]benzenesulfonamide;6-[2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidin-5-yl]-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-2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidine;5-bromo-4-methoxypyrimidin-2-amine;2-chlorobenzenesulfonyl chloride;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-4-methoxypyrimidin-2-yl]benzenesulfonamide;6-[2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidin-5-yl]-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(-c2cnc(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(F)nc12.CCc1cc(-c2cnc(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(CS(=O)(=O)c2ccccc2Cl)ncc1Br.COc1nc(N)ncc1Br.O=S(=O)(Cl)c1ccccc1Cl.

What is the InChIKey of 5-bromo-2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidine;5-bromo-4-methoxypyrimidin-2-amine;2-chlorobenzenesulfonyl chloride;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-4-methoxypyrimidin-2-yl]benzenesulfonamide;6-[2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidin-5-yl]-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 KVDZYKSKZPMVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34ClN7O3S.C22H18ClFN4O3S.C16H20BFN2O2.C12H10BrClN2O3S.C8H18N2.C6H4Cl2O2S.C5H6BrN3O/c1-5-18-14-19(15-20-16-31-28(34-26(18)20)33-21-10-12-22(13-11-21)37(2)3)23-17-32-29(35-27(23)40-4)36-41(38,39)25-9-7-6-8-24(25)30;1-3-13-8-14(9-15-10-26-22(24)28-20(13)15)16-11-25-19(27-21(16)31-2)12-32(29,30)18-7-5-4-6-17(18)23;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;1-19-12-8(13)6-15-11(16-12)7-20(17,18)10-5-3-2-4-9(10)14;1-10(2)8-5-3-7(9)4-6-8;7-5-3-1-2-4-6(5)11(8,9)10;1-10-4-3(6)2-8-5(7)9-4/h6-9,14-17,21-22H,5,10-13H2,1-4H3,(H,31,33,34)(H,32,35,36);4-11H,3,12H2,1-2H3;7-9H,6H2,1-5H3;2-6H,7H2,1H3;7-8H,3-6,9H2,1-2H3;1-4H;2H,1H3,(H2,7,8,9).

What are the key properties of 5-bromo-2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidine;5-bromo-4-methoxypyrimidin-2-amine;2-chlorobenzenesulfonyl chloride;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-4-methoxypyrimidin-2-yl]benzenesulfonamide;6-[2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidin-5-yl]-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-2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidine;5-bromo-4-methoxypyrimidin-2-amine;2-chlorobenzenesulfonyl chloride;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-4-methoxypyrimidin-2-yl]benzenesulfonamide;6-[2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidin-5-yl]-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 2306.23 g/mol, XLogP of 19.24, 24 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidine;5-bromo-4-methoxypyrimidin-2-amine;2-chlorobenzenesulfonyl chloride;2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-4-methoxypyrimidin-2-yl]benzenesulfonamide;6-[2-[(2-chlorophenyl)sulfonylmethyl]-4-methoxypyrimidin-5-yl]-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 159249974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).