7-bromo-2-chloro-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;morpholine;4,4,5,5-tetramethyl-2-(2-methyl-1H-inden-4-yl)-1,3,2-dioxaborolane;fluoride

C100H114B2Br3Cl3F3N13O7S4 — CID 158326340

About 7-bromo-2-chloro-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;morpholine;4,4,5,5-tetramethyl-2-(2-methyl-1H-inden-4-yl)-1,3,2-dioxaborolane;fluoride

7-bromo-2-chloro-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;morpholine;4,4,5,5-tetramethyl-2-(2-methyl-1H-inden-4-yl)-1,3,2-dioxaborolane;fluoride (PubChem CID 158326340) has the molecular formula C100H114B2Br3Cl3F3N13O7S4 and a molecular weight of 2163.05 g/mol. Its IUPAC name is 7-bromo-2-chloro-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;morpholine;4,4,5,5-tetramethyl-2-(2-methyl-1H-inden-4-yl)-1,3,2-dioxaborolane;fluoride.

Molecular Properties

• Compound Name: 7-bromo-2-chloro-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;morpholine;4,4,5,5-tetramethyl-2-(2-methyl-1H-inden-4-yl)-1,3,2-dioxaborolane;fluoride
• PubChem CID: 158326340
• Molecular Formula: C100H114B2Br3Cl3F3N13O7S4
• Molecular Weight: 2163.05 g/mol
• Exact Mass: 2157.46
• IUPAC Name: 7-bromo-2-chloro-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;morpholine;4,4,5,5-tetramethyl-2-(2-methyl-1H-inden-4-yl)-1,3,2-dioxaborolane;fluoride
• SMILES: C1COCCN1.CC(C)(O)C1CC[NH+](CB(F)F)CC1.CC1=Cc2c(cccc2-c2nc(Cl)nc3c(Br)csc23)C1.CC1=Cc2c(cccc2-c2nc(N3CCOCC3)nc3c(Br)csc23)C1.CC1=Cc2c(cccc2-c2nc(N3CCOCC3)nc3c(CN4CCC(C(C)(C)O)CC4)csc23)C1.CC1=Cc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1.Clc1nc(Cl)c2scc(Br)c2n1.[F-]
• InChI: InChI=1S/C29H36N4O2S.C20H18BrN3OS.C16H21BO2.C16H10BrClN2S.C9H18BF2NO.C6HBrCl2N2S.C4H9NO.FH/c1-19-15-20-5-4-6-23(24(20)16-19)26-27-25(30-28(31-26)33-11-13-35-14-12-33)21(18-36-27)17-32-9-7-22(8-10-32)29(2,3)34;1-12-9-13-3-2-4-14(15(13)10-12)17-19-18(16(21)11-26-19)23-20(22-17)24-5-7-25-8-6-24;1-11-9-12-7-6-8-14(13(12)10-11)17-18-15(2,3)16(4,5)19-17;1-8-5-9-3-2-4-10(11(9)6-8)13-15-14(12(17)7-21-15)20-16(18)19-13;1-9(2,14)8-3-5-13(6-4-8)7-10(11)12;7-2-1-12-4-3(2)10-6(9)11-5(4)8;1-3-6-4-2-5-1;/h4-6,16,18,22,34H,7-15,17H2,1-3H3;2-4,10-11H,5-9H2,1H3;6-8,10H,9H2,1-5H3;2-4,6-7H,5H2,1H3;8,14H,3-7H2,1-2H3;1H;5H,1-4H2;1H
• InChIKey: GPLLOSRGMGMCPW-UHFFFAOYSA-N
• XLogP: 19.12
• TPSA: 215.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2163.05
LogP ≤ 5	19.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-chloro-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;morpholine;4,4,5,5-tetramethyl-2-(2-methyl-1H-inden-4-yl)-1,3,2-dioxaborolane;fluoride?

The IUPAC name of 7-bromo-2-chloro-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;morpholine;4,4,5,5-tetramethyl-2-(2-methyl-1H-inden-4-yl)-1,3,2-dioxaborolane;fluoride (CID 158326340) is 7-bromo-2-chloro-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;morpholine;4,4,5,5-tetramethyl-2-(2-methyl-1H-inden-4-yl)-1,3,2-dioxaborolane;fluoride.

What is the SMILES notation for 7-bromo-2-chloro-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;morpholine;4,4,5,5-tetramethyl-2-(2-methyl-1H-inden-4-yl)-1,3,2-dioxaborolane;fluoride?

The canonical SMILES for 7-bromo-2-chloro-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;morpholine;4,4,5,5-tetramethyl-2-(2-methyl-1H-inden-4-yl)-1,3,2-dioxaborolane;fluoride is C1COCCN1.CC(C)(O)C1CC[NH+](CB(F)F)CC1.CC1=Cc2c(cccc2-c2nc(Cl)nc3c(Br)csc23)C1.CC1=Cc2c(cccc2-c2nc(N3CCOCC3)nc3c(Br)csc23)C1.CC1=Cc2c(cccc2-c2nc(N3CCOCC3)nc3c(CN4CCC(C(C)(C)O)CC4)csc23)C1.CC1=Cc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1.Clc1nc(Cl)c2scc(Br)c2n1.[F-].

What is the InChIKey of 7-bromo-2-chloro-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;morpholine;4,4,5,5-tetramethyl-2-(2-methyl-1H-inden-4-yl)-1,3,2-dioxaborolane;fluoride?

The InChIKey is GPLLOSRGMGMCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2S.C20H18BrN3OS.C16H21BO2.C16H10BrClN2S.C9H18BF2NO.C6HBrCl2N2S.C4H9NO.FH/c1-19-15-20-5-4-6-23(24(20)16-19)26-27-25(30-28(31-26)33-11-13-35-14-12-33)21(18-36-27)17-32-9-7-22(8-10-32)29(2,3)34;1-12-9-13-3-2-4-14(15(13)10-12)17-19-18(16(21)11-26-19)23-20(22-17)24-5-7-25-8-6-24;1-11-9-12-7-6-8-14(13(12)10-11)17-18-15(2,3)16(4,5)19-17;1-8-5-9-3-2-4-10(11(9)6-8)13-15-14(12(17)7-21-15)20-16(18)19-13;1-9(2,14)8-3-5-13(6-4-8)7-10(11)12;7-2-1-12-4-3(2)10-6(9)11-5(4)8;1-3-6-4-2-5-1;/h4-6,16,18,22,34H,7-15,17H2,1-3H3;2-4,10-11H,5-9H2,1H3;6-8,10H,9H2,1-5H3;2-4,6-7H,5H2,1H3;8,14H,3-7H2,1-2H3;1H;5H,1-4H2;1H.

What are the key properties of 7-bromo-2-chloro-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;morpholine;4,4,5,5-tetramethyl-2-(2-methyl-1H-inden-4-yl)-1,3,2-dioxaborolane;fluoride?

7-bromo-2-chloro-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;morpholine;4,4,5,5-tetramethyl-2-(2-methyl-1H-inden-4-yl)-1,3,2-dioxaborolane;fluoride has a molecular weight of 2163.05 g/mol, XLogP of 19.12, 12 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-chloro-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(2-methyl-1H-inden-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;2-[1-[[4-(2-methyl-1H-inden-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;morpholine;4,4,5,5-tetramethyl-2-(2-methyl-1H-inden-4-yl)-1,3,2-dioxaborolane;fluoride is sourced from PubChem (CID 158326340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).