N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane;N-[5-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanesulfonamide;morpholine;fluoride

C84H106B2Br3Cl3F3N21O19S8 — CID 158827029

About N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane;N-[5-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanesulfonamide;morpholine;fluoride

N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane;N-[5-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanesulfonamide;morpholine;fluoride (PubChem CID 158827029) has the molecular formula C84H106B2Br3Cl3F3N21O19S8 and a molecular weight of 2395.12 g/mol. Its IUPAC name is N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane;N-[5-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanesulfonamide;morpholine;fluoride.

Molecular Properties

• Compound Name: N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane;N-[5-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanesulfonamide;morpholine;fluoride
• PubChem CID: 158827029
• Molecular Formula: C84H106B2Br3Cl3F3N21O19S8
• Molecular Weight: 2395.12 g/mol
• Exact Mass: 2389.25
• IUPAC Name: N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane;N-[5-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanesulfonamide;morpholine;fluoride
• SMILES: C1COCCN1.COc1ncc(-c2nc(Cl)nc3c(Br)csc23)cc1NS(C)(=O)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cc1NS(C)(=O)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4C[C@@H](C)O[C@@H](C)C4)csc23)cc1NS(C)(=O)=O.COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NS(C)(=O)=O.C[C@@H]1C[NH+](CB(F)F)C[C@H](C)O1.Clc1nc(Cl)c2scc(Br)c2n1.[F-]
• InChI: InChI=1S/C24H32N6O5S2.C17H18BrN5O4S2.C13H21BN2O5S.C13H10BrClN4O3S2.C7H14BF2NO.C6HBrCl2N2S.C4H9NO.FH/c1-15-11-29(12-16(2)35-15)13-18-14-36-22-20(26-24(27-21(18)22)30-5-7-34-8-6-30)17-9-19(28-37(4,31)32)23(33-3)25-10-17;1-26-16-12(22-29(2,24)25)7-10(8-19-16)13-15-14(11(18)9-28-15)21-17(20-13)23-3-5-27-6-4-23;1-12(2)13(3,4)21-14(20-12)9-7-10(16-22(6,17)18)11(19-5)15-8-9;1-22-12-8(19-24(2,20)21)3-6(4-16-12)9-11-10(7(14)5-23-11)18-13(15)17-9;1-6-3-11(5-8(9)10)4-7(2)12-6;7-2-1-12-4-3(2)10-6(9)11-5(4)8;1-3-6-4-2-5-1;/h9-10,14-16,28H,5-8,11-13H2,1-4H3;7-9,22H,3-6H2,1-2H3;7-8,16H,1-6H3;3-5,19H,1-2H3;6-7H,3-5H2,1-2H3;1H;5H,1-4H2;1H/t15-,16+;;;;6-,7+
• InChIKey: IWOULLUHOLJPLZ-JGRHVLPGSA-N
• XLogP: 9.64
• TPSA: 467.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 22
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2395.12
LogP ≤ 5	9.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane;N-[5-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanesulfonamide;morpholine;fluoride?

The IUPAC name of N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane;N-[5-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanesulfonamide;morpholine;fluoride (CID 158827029) is N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane;N-[5-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanesulfonamide;morpholine;fluoride.

What is the SMILES notation for N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane;N-[5-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanesulfonamide;morpholine;fluoride?

The canonical SMILES for N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane;N-[5-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanesulfonamide;morpholine;fluoride is C1COCCN1.COc1ncc(-c2nc(Cl)nc3c(Br)csc23)cc1NS(C)(=O)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cc1NS(C)(=O)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4C[C@@H](C)O[C@@H](C)C4)csc23)cc1NS(C)(=O)=O.COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NS(C)(=O)=O.C[C@@H]1C[NH+](CB(F)F)C[C@H](C)O1.Clc1nc(Cl)c2scc(Br)c2n1.[F-].

What is the InChIKey of N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane;N-[5-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanesulfonamide;morpholine;fluoride?

The InChIKey is IWOULLUHOLJPLZ-JGRHVLPGSA-N. The full InChI is InChI=1S/C24H32N6O5S2.C17H18BrN5O4S2.C13H21BN2O5S.C13H10BrClN4O3S2.C7H14BF2NO.C6HBrCl2N2S.C4H9NO.FH/c1-15-11-29(12-16(2)35-15)13-18-14-36-22-20(26-24(27-21(18)22)30-5-7-34-8-6-30)17-9-19(28-37(4,31)32)23(33-3)25-10-17;1-26-16-12(22-29(2,24)25)7-10(8-19-16)13-15-14(11(18)9-28-15)21-17(20-13)23-3-5-27-6-4-23;1-12(2)13(3,4)21-14(20-12)9-7-10(16-22(6,17)18)11(19-5)15-8-9;1-22-12-8(19-24(2,20)21)3-6(4-16-12)9-11-10(7(14)5-23-11)18-13(15)17-9;1-6-3-11(5-8(9)10)4-7(2)12-6;7-2-1-12-4-3(2)10-6(9)11-5(4)8;1-3-6-4-2-5-1;/h9-10,14-16,28H,5-8,11-13H2,1-4H3;7-9,22H,3-6H2,1-2H3;7-8,16H,1-6H3;3-5,19H,1-2H3;6-7H,3-5H2,1-2H3;1H;5H,1-4H2;1H/t15-,16+;;;;6-,7+;;;.

What are the key properties of N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane;N-[5-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanesulfonamide;morpholine;fluoride?

N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane;N-[5-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanesulfonamide;morpholine;fluoride has a molecular weight of 2395.12 g/mol, XLogP of 9.64, 22 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl-difluoroborane;N-[5-[7-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanesulfonamide;morpholine;fluoride is sourced from PubChem (CID 158827029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).