7-bromo-2-chloro-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-[1-[[4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;morpholine

C83H96BBr3Cl7N17O16S9 — CID 159939249

About 7-bromo-2-chloro-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-[1-[[4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;morpholine

7-bromo-2-chloro-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-[1-[[4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;morpholine (PubChem CID 159939249) has the molecular formula C83H96BBr3Cl7N17O16S9 and a molecular weight of 2375.08 g/mol. Its IUPAC name is 7-bromo-2-chloro-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-[1-[[4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;morpholine.

Molecular Properties

• Compound Name: 7-bromo-2-chloro-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-[1-[[4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;morpholine
• PubChem CID: 159939249
• Molecular Formula: C83H96BBr3Cl7N17O16S9
• Molecular Weight: 2375.08 g/mol
• Exact Mass: 2367.02
• IUPAC Name: 7-bromo-2-chloro-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-[1-[[4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;morpholine
• SMILES: C1COCCN1.CC1(C)OB(c2cnc(Cl)c(N(S(C)(=O)=O)S(C)(=O)=O)c2)OC1(C)C.Cc1sc2c(-c3cnc(Cl)c(CS(C)(=O)=O)c3)nc(Cl)nc2c1Br.Cc1sc2c(-c3cnc(Cl)c(CS(C)(=O)=O)c3)nc(N3CCOCC3)nc2c1Br.Cc1sc2c(-c3cnc(Cl)c(CS(C)(=O)=O)c3)nc(N3CCOCC3)nc2c1CN1CCC(C(C)(C)O)CC1.Cc1sc2c(Cl)nc(Cl)nc2c1Br
• InChI: InChI=1S/C27H36ClN5O4S2.C18H18BrClN4O3S2.C14H10BrCl2N3O2S2.C13H20BClN2O6S2.C7H3BrCl2N2S.C4H9NO/c1-17-21(15-32-7-5-20(6-8-32)27(2,3)34)23-24(38-17)22(30-26(31-23)33-9-11-37-12-10-33)18-13-19(16-39(4,35)36)25(28)29-14-18;1-10-13(19)15-16(28-10)14(22-18(23-15)24-3-5-27-6-4-24)11-7-12(9-29(2,25)26)17(20)21-8-11;1-6-9(15)11-12(23-6)10(19-14(17)20-11)7-3-8(5-24(2,21)22)13(16)18-4-7;1-12(2)13(3,4)23-14(22-12)9-7-10(11(15)16-8-9)17(24(5,18)19)25(6,20)21;1-2-3(8)4-5(13-2)6(9)12-7(10)11-4;1-3-6-4-2-5-1/h13-14,20,34H,5-12,15-16H2,1-4H3;7-8H,3-6,9H2,1-2H3;3-4H,5H2,1-2H3;7-8H,1-6H3;1H3;5H,1-4H2
• InChIKey: OAQVERGQZXEBDG-UHFFFAOYSA-N
• XLogP: 17.05
• TPSA: 416.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 36
• Rotatable Bonds: 18
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2375.08
LogP ≤ 5	17.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	36

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 7-bromo-2-chloro-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-[1-[[4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;morpholine?

The IUPAC name of 7-bromo-2-chloro-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-[1-[[4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;morpholine (CID 159939249) is 7-bromo-2-chloro-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-[1-[[4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;morpholine.

What is the SMILES notation for 7-bromo-2-chloro-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-[1-[[4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;morpholine?

The canonical SMILES for 7-bromo-2-chloro-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-[1-[[4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;morpholine is C1COCCN1.CC1(C)OB(c2cnc(Cl)c(N(S(C)(=O)=O)S(C)(=O)=O)c2)OC1(C)C.Cc1sc2c(-c3cnc(Cl)c(CS(C)(=O)=O)c3)nc(Cl)nc2c1Br.Cc1sc2c(-c3cnc(Cl)c(CS(C)(=O)=O)c3)nc(N3CCOCC3)nc2c1Br.Cc1sc2c(-c3cnc(Cl)c(CS(C)(=O)=O)c3)nc(N3CCOCC3)nc2c1CN1CCC(C(C)(C)O)CC1.Cc1sc2c(Cl)nc(Cl)nc2c1Br.

What is the InChIKey of 7-bromo-2-chloro-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-[1-[[4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;morpholine?

The InChIKey is OAQVERGQZXEBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36ClN5O4S2.C18H18BrClN4O3S2.C14H10BrCl2N3O2S2.C13H20BClN2O6S2.C7H3BrCl2N2S.C4H9NO/c1-17-21(15-32-7-5-20(6-8-32)27(2,3)34)23-24(38-17)22(30-26(31-23)33-9-11-37-12-10-33)18-13-19(16-39(4,35)36)25(28)29-14-18;1-10-13(19)15-16(28-10)14(22-18(23-15)24-3-5-27-6-4-24)11-7-12(9-29(2,25)26)17(20)21-8-11;1-6-9(15)11-12(23-6)10(19-14(17)20-11)7-3-8(5-24(2,21)22)13(16)18-4-7;1-12(2)13(3,4)23-14(22-12)9-7-10(11(15)16-8-9)17(24(5,18)19)25(6,20)21;1-2-3(8)4-5(13-2)6(9)12-7(10)11-4;1-3-6-4-2-5-1/h13-14,20,34H,5-12,15-16H2,1-4H3;7-8H,3-6,9H2,1-2H3;3-4H,5H2,1-2H3;7-8H,1-6H3;1H3;5H,1-4H2.

What are the key properties of 7-bromo-2-chloro-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-[1-[[4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;morpholine?

7-bromo-2-chloro-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-[1-[[4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;morpholine has a molecular weight of 2375.08 g/mol, XLogP of 17.05, 18 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-chloro-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-[1-[[4-[6-chloro-5-(methylsulfonylmethyl)-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;N-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylsulfonylmethanesulfonamide;morpholine is sourced from PubChem (CID 159939249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).