6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-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-chloro-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-(cyclohexen-1-yl)-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene

C118H140B2BrCl2N25O12S5 — CID 159197407

About 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-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-chloro-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-(cyclohexen-1-yl)-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene

6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-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-chloro-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-(cyclohexen-1-yl)-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene (PubChem CID 159197407) has the molecular formula C118H140B2BrCl2N25O12S5 and a molecular weight of 2433.35 g/mol. Its IUPAC name is 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-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-chloro-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-(cyclohexen-1-yl)-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene.

Molecular Properties

• Compound Name: 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-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-chloro-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-(cyclohexen-1-yl)-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene
• PubChem CID: 159197407
• Molecular Formula: C118H140B2BrCl2N25O12S5
• Molecular Weight: 2433.35 g/mol
• Exact Mass: 2429.85
• IUPAC Name: 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-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-chloro-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-(cyclohexen-1-yl)-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene
• SMILES: CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.COc1cccc([C@H](C)N=C=O)c1.COc1cccc([C@H](C)NC(=O)N2CC=C(c3ncnc4cc(-c5cn(C)nc5C)sc34)CC2)c1.Cc1nn(C)cc1-c1cc2ncnc(C3=CCCCC3)c2s1.Cc1nn(C)cc1-c1cc2ncnc(C3=CCN(C(=O)OC(C)(C)C)CC3)c2s1.Cc1nn(C)cc1-c1cc2ncnc(Cl)c2s1.Cc1nn(C)cc1B1OC(C)(C)C(C)(C)O1.Clc1ncnc2cc(Br)sc12
• InChI: InChI=1S/C26H28N6O2S.C21H25N5O2S.C17H18N4S.C16H28BNO4.C11H19BN2O2.C11H9ClN4S.C10H11NO2.C6H2BrClN2S/c1-16(19-6-5-7-20(12-19)34-4)29-26(33)32-10-8-18(9-11-32)24-25-22(27-15-28-24)13-23(35-25)21-14-31(3)30-17(21)2;1-13-15(11-25(5)24-13)17-10-16-19(29-17)18(23-12-22-16)14-6-8-26(9-7-14)20(27)28-21(2,3)4;1-11-13(9-21(2)20-11)15-8-14-17(22-15)16(19-10-18-14)12-6-4-3-5-7-12;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-8-9(7-14(6)13-8)12-15-10(2,3)11(4,5)16-12;1-6-7(4-16(2)15-6)9-3-8-10(17-9)11(12)14-5-13-8;1-8(11-7-12)9-4-3-5-10(6-9)13-2;7-4-1-3-5(11-4)6(8)10-2-9-3/h5-8,12-16H,9-11H2,1-4H3,(H,29,33);6,10-12H,7-9H2,1-5H3;6,8-10H,3-5,7H2,1-2H3;8H,9-11H2,1-7H3;7H,1-6H3;3-5H,1-2H3;3-6,8H,1-2H3;1-2H/t16-;;;;;;8-;/m0.....0./s1
• InChIKey: KOVNBEWCRQXBNS-ASCKUTGTSA-N
• XLogP: 26.22
• TPSA: 394.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 38
• Rotatable Bonds: 15
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2433.35
LogP ≤ 5	26.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-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-chloro-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-(cyclohexen-1-yl)-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene?

The IUPAC name of 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-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-chloro-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-(cyclohexen-1-yl)-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene (CID 159197407) is 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-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-chloro-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-(cyclohexen-1-yl)-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene.

What is the SMILES notation for 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-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-chloro-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-(cyclohexen-1-yl)-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene?

The canonical SMILES for 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-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-chloro-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-(cyclohexen-1-yl)-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene is CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.COc1cccc([C@H](C)N=C=O)c1.COc1cccc([C@H](C)NC(=O)N2CC=C(c3ncnc4cc(-c5cn(C)nc5C)sc34)CC2)c1.Cc1nn(C)cc1-c1cc2ncnc(C3=CCCCC3)c2s1.Cc1nn(C)cc1-c1cc2ncnc(C3=CCN(C(=O)OC(C)(C)C)CC3)c2s1.Cc1nn(C)cc1-c1cc2ncnc(Cl)c2s1.Cc1nn(C)cc1B1OC(C)(C)C(C)(C)O1.Clc1ncnc2cc(Br)sc12.

What is the InChIKey of 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-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-chloro-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-(cyclohexen-1-yl)-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene?

The InChIKey is KOVNBEWCRQXBNS-ASCKUTGTSA-N. The full InChI is InChI=1S/C26H28N6O2S.C21H25N5O2S.C17H18N4S.C16H28BNO4.C11H19BN2O2.C11H9ClN4S.C10H11NO2.C6H2BrClN2S/c1-16(19-6-5-7-20(12-19)34-4)29-26(33)32-10-8-18(9-11-32)24-25-22(27-15-28-24)13-23(35-25)21-14-31(3)30-17(21)2;1-13-15(11-25(5)24-13)17-10-16-19(29-17)18(23-12-22-16)14-6-8-26(9-7-14)20(27)28-21(2,3)4;1-11-13(9-21(2)20-11)15-8-14-17(22-15)16(19-10-18-14)12-6-4-3-5-7-12;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-8-9(7-14(6)13-8)12-15-10(2,3)11(4,5)16-12;1-6-7(4-16(2)15-6)9-3-8-10(17-9)11(12)14-5-13-8;1-8(11-7-12)9-4-3-5-10(6-9)13-2;7-4-1-3-5(11-4)6(8)10-2-9-3/h5-8,12-16H,9-11H2,1-4H3,(H,29,33);6,10-12H,7-9H2,1-5H3;6,8-10H,3-5,7H2,1-2H3;8H,9-11H2,1-7H3;7H,1-6H3;3-5H,1-2H3;3-6,8H,1-2H3;1-2H/t16-;;;;;;8-;/m0.....0./s1.

What are the key properties of 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-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-chloro-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-(cyclohexen-1-yl)-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene?

6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-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-chloro-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-(cyclohexen-1-yl)-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene has a molecular weight of 2433.35 g/mol, XLogP of 26.22, 15 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-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-chloro-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-(cyclohexen-1-yl)-6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;1-[(1S)-1-isocyanatoethyl]-3-methoxybenzene is sourced from PubChem (CID 159197407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).