5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;ethanesulfonyl chloride;2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine;morpholine;fluoride

C76H92B2Br4Cl4F3N21O13S6 — CID 161231371

About 5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;ethanesulfonyl chloride;2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine;morpholine;fluoride

5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;ethanesulfonyl chloride;2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine;morpholine;fluoride (PubChem CID 161231371) has the molecular formula C76H92B2Br4Cl4F3N21O13S6 and a molecular weight of 2240.15 g/mol. Its IUPAC name is 5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;ethanesulfonyl chloride;2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine;morpholine;fluoride.

Molecular Properties

• Compound Name: 5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;ethanesulfonyl chloride;2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine;morpholine;fluoride
• PubChem CID: 161231371
• Molecular Formula: C76H92B2Br4Cl4F3N21O13S6
• Molecular Weight: 2240.15 g/mol
• Exact Mass: 2233.11
• IUPAC Name: 5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;ethanesulfonyl chloride;2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine;morpholine;fluoride
• SMILES: C1COCCN1.CCS(=O)(=O)Cl.CCS(=O)(=O)Nc1cc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cnc1OC.CN1CC[NH+](CB(F)F)CC1.COc1ncc(-c2nc(Cl)nc3c(Br)csc23)cc1N.COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cc1N.COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1N.Clc1nc(Cl)c2scc(Br)c2n1.[F-]
• InChI: InChI=1S/C18H20BrN5O4S2.C16H16BrN5O2S.C12H19BN2O3.C12H8BrClN4OS.C6H13BF2N2.C6HBrCl2N2S.C4H9NO.C2H5ClO2S.FH/c1-3-30(25,26)23-13-8-11(9-20-17(13)27-2)14-16-15(12(19)10-29-16)22-18(21-14)24-4-6-28-7-5-24;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;1-11(2)12(3,4)18-13(17-11)8-6-9(14)10(16-5)15-7-8;1-19-11-7(15)2-5(3-16-11)8-10-9(6(13)4-20-10)18-12(14)17-8;1-10-2-4-11(5-3-10)6-7(8)9;7-2-1-12-4-3(2)10-6(9)11-5(4)8;1-3-6-4-2-5-1;1-2-6(3,4)5;/h8-10,23H,3-7H2,1-2H3;6-8H,2-5,18H2,1H3;6-7H,14H2,1-5H3;2-4H,15H2,1H3;2-6H2,1H3;1H;5H,1-4H2;2H2,1H3;1H
• InChIKey: UYUHNABKFDJOIU-UHFFFAOYSA-N
• XLogP: 10.53
• TPSA: 422.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 16
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2240.15
LogP ≤ 5	10.53
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

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-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;ethanesulfonyl chloride;2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine;morpholine;fluoride?

The IUPAC name of 5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;ethanesulfonyl chloride;2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine;morpholine;fluoride (CID 161231371) is 5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;ethanesulfonyl chloride;2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine;morpholine;fluoride.

What is the SMILES notation for 5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;ethanesulfonyl chloride;2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine;morpholine;fluoride?

The canonical SMILES for 5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;ethanesulfonyl chloride;2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine;morpholine;fluoride is C1COCCN1.CCS(=O)(=O)Cl.CCS(=O)(=O)Nc1cc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cnc1OC.CN1CC[NH+](CB(F)F)CC1.COc1ncc(-c2nc(Cl)nc3c(Br)csc23)cc1N.COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cc1N.COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1N.Clc1nc(Cl)c2scc(Br)c2n1.[F-].

What is the InChIKey of 5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;ethanesulfonyl chloride;2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine;morpholine;fluoride?

The InChIKey is UYUHNABKFDJOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN5O4S2.C16H16BrN5O2S.C12H19BN2O3.C12H8BrClN4OS.C6H13BF2N2.C6HBrCl2N2S.C4H9NO.C2H5ClO2S.FH/c1-3-30(25,26)23-13-8-11(9-20-17(13)27-2)14-16-15(12(19)10-29-16)22-18(21-14)24-4-6-28-7-5-24;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;1-11(2)12(3,4)18-13(17-11)8-6-9(14)10(16-5)15-7-8;1-19-11-7(15)2-5(3-16-11)8-10-9(6(13)4-20-10)18-12(14)17-8;1-10-2-4-11(5-3-10)6-7(8)9;7-2-1-12-4-3(2)10-6(9)11-5(4)8;1-3-6-4-2-5-1;1-2-6(3,4)5;/h8-10,23H,3-7H2,1-2H3;6-8H,2-5,18H2,1H3;6-7H,14H2,1-5H3;2-4H,15H2,1H3;2-6H2,1H3;1H;5H,1-4H2;2H2,1H3;1H.

What are the key properties of 5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;ethanesulfonyl chloride;2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine;morpholine;fluoride?

5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;ethanesulfonyl chloride;2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine;morpholine;fluoride has a molecular weight of 2240.15 g/mol, XLogP of 10.53, 16 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7-bromo-2-chlorothieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxypyridin-3-amine;N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide;difluoro-[(4-methylpiperazin-1-ium-1-yl)methyl]borane;ethanesulfonyl chloride;2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine;morpholine;fluoride is sourced from PubChem (CID 161231371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).