7-bromo-2-chloro-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-(difluoroboranylmethyl)piperazin-4-ium-1-carboxylate;tert-butyl 4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;morpholine;fluoride

C109H120B2Br3Cl5F3N17O9S5 — CID 159086754

About 7-bromo-2-chloro-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-(difluoroboranylmethyl)piperazin-4-ium-1-carboxylate;tert-butyl 4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;morpholine;fluoride

7-bromo-2-chloro-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-(difluoroboranylmethyl)piperazin-4-ium-1-carboxylate;tert-butyl 4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;morpholine;fluoride (PubChem CID 159086754) has the molecular formula C109H120B2Br3Cl5F3N17O9S5 and a molecular weight of 2468.20 g/mol. Its IUPAC name is 7-bromo-2-chloro-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-(difluoroboranylmethyl)piperazin-4-ium-1-carboxylate;tert-butyl 4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;morpholine;fluoride.

Molecular Properties

• Compound Name: 7-bromo-2-chloro-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-(difluoroboranylmethyl)piperazin-4-ium-1-carboxylate;tert-butyl 4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;morpholine;fluoride
• PubChem CID: 159086754
• Molecular Formula: C109H120B2Br3Cl5F3N17O9S5
• Molecular Weight: 2468.20 g/mol
• Exact Mass: 2461.42
• IUPAC Name: 7-bromo-2-chloro-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-(difluoroboranylmethyl)piperazin-4-ium-1-carboxylate;tert-butyl 4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;morpholine;fluoride
• SMILES: C1COCCN1.CC(C)(C)OC(=O)N1CC[NH+](CB(F)F)CC1.CC1(C)OB(c2cccc3c2C=CC3)OC1(C)C.Cc1cc2nc(Cl)nc(Cl)c2s1.Cc1sc2c(-c3cccc4c3C=CC4)nc(Cl)nc2c1Br.Cc1sc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc2c1Br.Cc1sc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc2c1CN1CCN(C(=O)OC(C)(C)C)CC1.Cc1sc2c(Cl)nc(Cl)nc2c1Br.[F-]
• InChI: InChI=1S/C30H37N5O3S.C20H18BrN3OS.C16H10BrClN2S.C15H19BO2.C10H19BF2N2O2.C7H3BrCl2N2S.C7H4Cl2N2S.C4H9NO.FH/c1-20-24(19-33-11-13-35(14-12-33)29(36)38-30(2,3)4)26-27(39-20)25(23-10-6-8-21-7-5-9-22(21)23)31-28(32-26)34-15-17-37-18-16-34;1-12-16(21)18-19(26-12)17(15-7-3-5-13-4-2-6-14(13)15)22-20(23-18)24-8-10-25-11-9-24;1-8-12(17)14-15(21-8)13(19-16(18)20-14)11-7-3-5-9-4-2-6-10(9)11;1-14(2)15(3,4)18-16(17-14)13-10-6-8-11-7-5-9-12(11)13;1-10(2,3)17-9(16)15-6-4-14(5-7-15)8-11(12)13;1-2-3(8)4-5(13-2)6(9)12-7(10)11-4;1-3-2-4-5(12-3)6(8)11-7(9)10-4;1-3-6-4-2-5-1;/h5-6,8-10H,7,11-19H2,1-4H3;2-3,5-7H,4,8-11H2,1H3;2-3,5-7H,4H2,1H3;5-6,8-10H,7H2,1-4H3;4-8H2,1-3H3;1H3;2H,1H3;5H,1-4H2;1H
• InChIKey: KBNNCPSRQHNTFC-UHFFFAOYSA-N
• XLogP: 22.24
• TPSA: 260.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 10
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2468.20
LogP ≤ 5	22.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

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-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-(difluoroboranylmethyl)piperazin-4-ium-1-carboxylate;tert-butyl 4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;morpholine;fluoride?

The IUPAC name of 7-bromo-2-chloro-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-(difluoroboranylmethyl)piperazin-4-ium-1-carboxylate;tert-butyl 4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;morpholine;fluoride (CID 159086754) is 7-bromo-2-chloro-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-(difluoroboranylmethyl)piperazin-4-ium-1-carboxylate;tert-butyl 4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;morpholine;fluoride.

What is the SMILES notation for 7-bromo-2-chloro-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-(difluoroboranylmethyl)piperazin-4-ium-1-carboxylate;tert-butyl 4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;morpholine;fluoride?

The canonical SMILES for 7-bromo-2-chloro-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-(difluoroboranylmethyl)piperazin-4-ium-1-carboxylate;tert-butyl 4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;morpholine;fluoride is C1COCCN1.CC(C)(C)OC(=O)N1CC[NH+](CB(F)F)CC1.CC1(C)OB(c2cccc3c2C=CC3)OC1(C)C.Cc1cc2nc(Cl)nc(Cl)c2s1.Cc1sc2c(-c3cccc4c3C=CC4)nc(Cl)nc2c1Br.Cc1sc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc2c1Br.Cc1sc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc2c1CN1CCN(C(=O)OC(C)(C)C)CC1.Cc1sc2c(Cl)nc(Cl)nc2c1Br.[F-].

What is the InChIKey of 7-bromo-2-chloro-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-(difluoroboranylmethyl)piperazin-4-ium-1-carboxylate;tert-butyl 4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;morpholine;fluoride?

The InChIKey is KBNNCPSRQHNTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O3S.C20H18BrN3OS.C16H10BrClN2S.C15H19BO2.C10H19BF2N2O2.C7H3BrCl2N2S.C7H4Cl2N2S.C4H9NO.FH/c1-20-24(19-33-11-13-35(14-12-33)29(36)38-30(2,3)4)26-27(39-20)25(23-10-6-8-21-7-5-9-22(21)23)31-28(32-26)34-15-17-37-18-16-34;1-12-16(21)18-19(26-12)17(15-7-3-5-13-4-2-6-14(13)15)22-20(23-18)24-8-10-25-11-9-24;1-8-12(17)14-15(21-8)13(19-16(18)20-14)11-7-3-5-9-4-2-6-10(9)11;1-14(2)15(3,4)18-16(17-14)13-10-6-8-11-7-5-9-12(11)13;1-10(2,3)17-9(16)15-6-4-14(5-7-15)8-11(12)13;1-2-3(8)4-5(13-2)6(9)12-7(10)11-4;1-3-2-4-5(12-3)6(8)11-7(9)10-4;1-3-6-4-2-5-1;/h5-6,8-10H,7,11-19H2,1-4H3;2-3,5-7H,4,8-11H2,1H3;2-3,5-7H,4H2,1H3;5-6,8-10H,7H2,1-4H3;4-8H2,1-3H3;1H3;2H,1H3;5H,1-4H2;1H.

What are the key properties of 7-bromo-2-chloro-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-(difluoroboranylmethyl)piperazin-4-ium-1-carboxylate;tert-butyl 4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;morpholine;fluoride?

7-bromo-2-chloro-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-(difluoroboranylmethyl)piperazin-4-ium-1-carboxylate;tert-butyl 4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;morpholine;fluoride has a molecular weight of 2468.20 g/mol, XLogP of 22.24, 10 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-chloro-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;4-[7-bromo-4-(1H-inden-4-yl)-6-methylthieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-(difluoroboranylmethyl)piperazin-4-ium-1-carboxylate;tert-butyl 4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;morpholine;fluoride is sourced from PubChem (CID 159086754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).