5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;N,N-dimethylsulfamoyl chloride;1-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]-N,N-dimethylmethanesulfonamide;fluoride

C68H93BBr2ClF3N20O12S6 — CID 158013689

About 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;N,N-dimethylsulfamoyl chloride;1-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]-N,N-dimethylmethanesulfonamide;fluoride

5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;N,N-dimethylsulfamoyl chloride;1-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]-N,N-dimethylmethanesulfonamide;fluoride (PubChem CID 158013689) has the molecular formula C68H93BBr2ClF3N20O12S6 and a molecular weight of 1838.09 g/mol. Its IUPAC name is 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;N,N-dimethylsulfamoyl chloride;1-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]-N,N-dimethylmethanesulfonamide;fluoride.

Molecular Properties

• Compound Name: 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;N,N-dimethylsulfamoyl chloride;1-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]-N,N-dimethylmethanesulfonamide;fluoride
• PubChem CID: 158013689
• Molecular Formula: C68H93BBr2ClF3N20O12S6
• Molecular Weight: 1838.09 g/mol
• Exact Mass: 1834.37
• IUPAC Name: 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;N,N-dimethylsulfamoyl chloride;1-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]-N,N-dimethylmethanesulfonamide;fluoride
• SMILES: CN(C)S(=O)(=O)Cl.CN1CC[NH+](CB(F)F)CC1.COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cc1CS(=O)(=O)N(C)C.COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cc1N.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(C)CC4)csc23)cc1CS(=O)(=O)N(C)C.[F-]
• InChI: InChI=1S/C25H35N7O4S2.C19H22BrN5O4S2.C16H16BrN5O2S.C6H13BF2N2.C2H6ClNO2S.FH/c1-29(2)38(33,34)17-19-13-18(14-26-24(19)35-4)21-23-22(28-25(27-21)32-9-11-36-12-10-32)20(16-37-23)15-31-7-5-30(3)6-8-31;1-24(2)31(26,27)11-13-8-12(9-21-18(13)28-3)15-17-16(14(20)10-30-17)23-19(22-15)25-4-6-29-7-5-25;1-23-15-11(18)6-9(7-19-15)12-14-13(10(17)8-25-14)21-16(20-12)22-2-4-24-5-3-22;1-10-2-4-11(5-3-10)6-7(8)9;1-4(2)7(3,5)6;/h13-14,16H,5-12,15,17H2,1-4H3;8-10H,4-7,11H2,1-3H3;6-8H,2-5,18H2,1H3;2-6H2,1H3;1-2H3;1H
• InChIKey: FFEZITAMXSPJMV-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 333.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1838.09
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;N,N-dimethylsulfamoyl chloride;1-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]-N,N-dimethylmethanesulfonamide;fluoride?

The IUPAC name of 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;N,N-dimethylsulfamoyl chloride;1-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]-N,N-dimethylmethanesulfonamide;fluoride (CID 158013689) is 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;N,N-dimethylsulfamoyl chloride;1-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]-N,N-dimethylmethanesulfonamide;fluoride.

What is the SMILES notation for 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;N,N-dimethylsulfamoyl chloride;1-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]-N,N-dimethylmethanesulfonamide;fluoride?

The canonical SMILES for 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;N,N-dimethylsulfamoyl chloride;1-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]-N,N-dimethylmethanesulfonamide;fluoride is CN(C)S(=O)(=O)Cl.CN1CC[NH+](CB(F)F)CC1.COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cc1CS(=O)(=O)N(C)C.COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cc1N.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(C)CC4)csc23)cc1CS(=O)(=O)N(C)C.[F-].

What is the InChIKey of 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;N,N-dimethylsulfamoyl chloride;1-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]-N,N-dimethylmethanesulfonamide;fluoride?

The InChIKey is FFEZITAMXSPJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O4S2.C19H22BrN5O4S2.C16H16BrN5O2S.C6H13BF2N2.C2H6ClNO2S.FH/c1-29(2)38(33,34)17-19-13-18(14-26-24(19)35-4)21-23-22(28-25(27-21)32-9-11-36-12-10-32)20(16-37-23)15-31-7-5-30(3)6-8-31;1-24(2)31(26,27)11-13-8-12(9-21-18(13)28-3)15-17-16(14(20)10-30-17)23-19(22-15)25-4-6-29-7-5-25;1-23-15-11(18)6-9(7-19-15)12-14-13(10(17)8-25-14)21-16(20-12)22-2-4-24-5-3-22;1-10-2-4-11(5-3-10)6-7(8)9;1-4(2)7(3,5)6;/h13-14,16H,5-12,15,17H2,1-4H3;8-10H,4-7,11H2,1-3H3;6-8H,2-5,18H2,1H3;2-6H2,1H3;1-2H3;1H.

What are the key properties of 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;N,N-dimethylsulfamoyl chloride;1-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]-N,N-dimethylmethanesulfonamide;fluoride?

5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;N,N-dimethylsulfamoyl chloride;1-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]-N,N-dimethylmethanesulfonamide;fluoride has a molecular weight of 1838.09 g/mol, XLogP of 3.25, 20 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;1-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]-N,N-dimethylmethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;N,N-dimethylsulfamoyl chloride;1-[2-methoxy-5-[7-[(4-methylpiperazin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]-N,N-dimethylmethanesulfonamide;fluoride is sourced from PubChem (CID 158013689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).