6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]thieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-N-[4-(6-piperidin-4-ylthieno[3,2-d]pyrimidin-4-yl)phenyl]benzenesulfonamide;4-methyl-N-[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzenesulfonamide;4,4,5,5-tetramethyl-2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]-1,3,2-dioxaborolane

C135H149B2BrCl2N18O18S9 — CID 160816039

About 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]thieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-N-[4-(6-piperidin-4-ylthieno[3,2-d]pyrimidin-4-yl)phenyl]benzenesulfonamide;4-methyl-N-[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzenesulfonamide;4,4,5,5-tetramethyl-2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]-1,3,2-dioxaborolane

6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]thieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-N-[4-(6-piperidin-4-ylthieno[3,2-d]pyrimidin-4-yl)phenyl]benzenesulfonamide;4-methyl-N-[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzenesulfonamide;4,4,5,5-tetramethyl-2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]-1,3,2-dioxaborolane (PubChem CID 160816039) has the molecular formula C135H149B2BrCl2N18O18S9 and a molecular weight of 2772.82 g/mol. Its IUPAC name is 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]thieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-N-[4-(6-piperidin-4-ylthieno[3,2-d]pyrimidin-4-yl)phenyl]benzenesulfonamide;4-methyl-N-[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzenesulfonamide;4,4,5,5-tetramethyl-2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]thieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-N-[4-(6-piperidin-4-ylthieno[3,2-d]pyrimidin-4-yl)phenyl]benzenesulfonamide;4-methyl-N-[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzenesulfonamide;4,4,5,5-tetramethyl-2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]-1,3,2-dioxaborolane
• PubChem CID: 160816039
• Molecular Formula: C135H149B2BrCl2N18O18S9
• Molecular Weight: 2772.82 g/mol
• Exact Mass: 2768.75
• IUPAC Name: 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]thieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-N-[4-(6-piperidin-4-ylthieno[3,2-d]pyrimidin-4-yl)phenyl]benzenesulfonamide;4-methyl-N-[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzenesulfonamide;4,4,5,5-tetramethyl-2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]-1,3,2-dioxaborolane
• SMILES: CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2cc3ncnc(Cl)c3s2)CC1.Cc1ccc(S(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(-c3ncnc4cc(C5=CCN(C(=O)OC(C)(C)C)CC5)sc34)cc2)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(-c3ncnc4cc(C5=CCNCC5)sc34)cc2)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(-c3ncnc4cc(C5CCNCC5)sc34)cc2)cc1.Clc1ncnc2cc(Br)sc12
• InChI: InChI=1S/C29H30N4O4S2.C24H24N4O2S2.C24H22N4O2S2.C20H25BO4S.C16H28BNO4.C16H18ClN3O2S.C6H2BrClN2S/c1-19-5-11-23(12-6-19)39(35,36)32-22-9-7-21(8-10-22)26-27-24(30-18-31-26)17-25(38-27)20-13-15-33(16-14-20)28(34)37-29(2,3)4;2*1-16-2-8-20(9-3-16)32(29,30)28-19-6-4-18(5-7-19)23-24-21(26-15-27-23)14-22(31-24)17-10-12-25-13-11-17;1-15-6-12-18(13-7-15)26(22,23)14-16-8-10-17(11-9-16)21-24-19(2,3)20(4,5)25-21;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-16(2,3)22-15(21)20-6-4-10(5-7-20)12-8-11-13(23-12)14(17)19-9-18-11;7-4-1-3-5(11-4)6(8)10-2-9-3/h5-13,17-18,32H,14-16H2,1-4H3;2-9,14-15,17,25,28H,10-13H2,1H3;2-10,14-15,25,28H,11-13H2,1H3;6-13H,14H2,1-5H3;8H,9-11H2,1-7H3;4,8-9H,5-7H2,1-3H3;1-2H
• InChIKey: SEXLGJBECVIOEX-UHFFFAOYSA-N
• XLogP: 30.20
• TPSA: 451.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 21
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2772.82
LogP ≤ 5	30.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]thieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-N-[4-(6-piperidin-4-ylthieno[3,2-d]pyrimidin-4-yl)phenyl]benzenesulfonamide;4-methyl-N-[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzenesulfonamide;4,4,5,5-tetramethyl-2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]-1,3,2-dioxaborolane?

The IUPAC name of 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]thieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-N-[4-(6-piperidin-4-ylthieno[3,2-d]pyrimidin-4-yl)phenyl]benzenesulfonamide;4-methyl-N-[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzenesulfonamide;4,4,5,5-tetramethyl-2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]-1,3,2-dioxaborolane (CID 160816039) is 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]thieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-N-[4-(6-piperidin-4-ylthieno[3,2-d]pyrimidin-4-yl)phenyl]benzenesulfonamide;4-methyl-N-[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzenesulfonamide;4,4,5,5-tetramethyl-2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]-1,3,2-dioxaborolane.

What is the SMILES notation for 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]thieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-N-[4-(6-piperidin-4-ylthieno[3,2-d]pyrimidin-4-yl)phenyl]benzenesulfonamide;4-methyl-N-[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzenesulfonamide;4,4,5,5-tetramethyl-2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]-1,3,2-dioxaborolane?

The canonical SMILES for 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]thieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-N-[4-(6-piperidin-4-ylthieno[3,2-d]pyrimidin-4-yl)phenyl]benzenesulfonamide;4-methyl-N-[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzenesulfonamide;4,4,5,5-tetramethyl-2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]-1,3,2-dioxaborolane is CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2cc3ncnc(Cl)c3s2)CC1.Cc1ccc(S(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(-c3ncnc4cc(C5=CCN(C(=O)OC(C)(C)C)CC5)sc34)cc2)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(-c3ncnc4cc(C5=CCNCC5)sc34)cc2)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(-c3ncnc4cc(C5CCNCC5)sc34)cc2)cc1.Clc1ncnc2cc(Br)sc12.

What is the InChIKey of 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]thieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-N-[4-(6-piperidin-4-ylthieno[3,2-d]pyrimidin-4-yl)phenyl]benzenesulfonamide;4-methyl-N-[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzenesulfonamide;4,4,5,5-tetramethyl-2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]-1,3,2-dioxaborolane?

The InChIKey is SEXLGJBECVIOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4S2.C24H24N4O2S2.C24H22N4O2S2.C20H25BO4S.C16H28BNO4.C16H18ClN3O2S.C6H2BrClN2S/c1-19-5-11-23(12-6-19)39(35,36)32-22-9-7-21(8-10-22)26-27-24(30-18-31-26)17-25(38-27)20-13-15-33(16-14-20)28(34)37-29(2,3)4;2*1-16-2-8-20(9-3-16)32(29,30)28-19-6-4-18(5-7-19)23-24-21(26-15-27-23)14-22(31-24)17-10-12-25-13-11-17;1-15-6-12-18(13-7-15)26(22,23)14-16-8-10-17(11-9-16)21-24-19(2,3)20(4,5)25-21;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-16(2,3)22-15(21)20-6-4-10(5-7-20)12-8-11-13(23-12)14(17)19-9-18-11;7-4-1-3-5(11-4)6(8)10-2-9-3/h5-13,17-18,32H,14-16H2,1-4H3;2-9,14-15,17,25,28H,10-13H2,1H3;2-10,14-15,25,28H,11-13H2,1H3;6-13H,14H2,1-5H3;8H,9-11H2,1-7H3;4,8-9H,5-7H2,1-3H3;1-2H.

What are the key properties of 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]thieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-N-[4-(6-piperidin-4-ylthieno[3,2-d]pyrimidin-4-yl)phenyl]benzenesulfonamide;4-methyl-N-[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzenesulfonamide;4,4,5,5-tetramethyl-2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]-1,3,2-dioxaborolane?

6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]thieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-N-[4-(6-piperidin-4-ylthieno[3,2-d]pyrimidin-4-yl)phenyl]benzenesulfonamide;4-methyl-N-[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzenesulfonamide;4,4,5,5-tetramethyl-2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]-1,3,2-dioxaborolane has a molecular weight of 2772.82 g/mol, XLogP of 30.20, 21 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]thieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-N-[4-(6-piperidin-4-ylthieno[3,2-d]pyrimidin-4-yl)phenyl]benzenesulfonamide;4-methyl-N-[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzenesulfonamide;4,4,5,5-tetramethyl-2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 160816039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).