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;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C65H83B2BrCl2N14O8S3 — CID 158497240

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;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

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;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 158497240) has the molecular formula C65H83B2BrCl2N14O8S3 and a molecular weight of 1457.10 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;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

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;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 158497240
• Molecular Formula: C65H83B2BrCl2N14O8S3
• Molecular Weight: 1457.10 g/mol
• Exact Mass: 1454.44
• 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;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.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/C21H25N5O2S.C16H28BNO4.C11H19BN2O2.C11H9ClN4S.C6H2BrClN2S/c1-13-15(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;1-14(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;7-4-1-3-5(11-4)6(8)10-2-9-3/h6,10-12H,7-9H2,1-5H3;8H,9-11H2,1-7H3;7H,1-6H3;3-5H,1-2H3;1-2H
• InChIKey: HJLHDIDSLUYNBX-UHFFFAOYSA-N
• XLogP: 14.80
• TPSA: 226.80 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 5
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1457.10
LogP ≤ 5	14.80
H-Bond Donors ≤ 5	0
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 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;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

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;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 158497240) 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;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

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;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

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;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.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;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is HJLHDIDSLUYNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S.C16H28BNO4.C11H19BN2O2.C11H9ClN4S.C6H2BrClN2S/c1-13-15(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;1-14(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;7-4-1-3-5(11-4)6(8)10-2-9-3/h6,10-12H,7-9H2,1-5H3;8H,9-11H2,1-7H3;7H,1-6H3;3-5H,1-2H3;1-2H.

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;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

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;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 1457.10 g/mol, XLogP of 14.80, 5 rotatable bonds, 0 hydrogen bond donors, and 23 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;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 158497240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).