6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-[2-[4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;(4-fluorophenyl)methyl cyanate;N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;4-[2-[4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]morpholine

C124H158BBrCl2F2N34O13S5 — CID 159014524

About 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-[2-[4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;(4-fluorophenyl)methyl cyanate;N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;4-[2-[4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]morpholine

6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-[2-[4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;(4-fluorophenyl)methyl cyanate;N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;4-[2-[4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]morpholine (PubChem CID 159014524) has the molecular formula C124H158BBrCl2F2N34O13S5 and a molecular weight of 2692.81 g/mol. Its IUPAC name is 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-[2-[4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;(4-fluorophenyl)methyl cyanate;N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;4-[2-[4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

• Compound Name: 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-[2-[4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;(4-fluorophenyl)methyl cyanate;N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;4-[2-[4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]morpholine
• PubChem CID: 159014524
• Molecular Formula: C124H158BBrCl2F2N34O13S5
• Molecular Weight: 2692.81 g/mol
• Exact Mass: 2689.00
• IUPAC Name: 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-[2-[4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;(4-fluorophenyl)methyl cyanate;N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;4-[2-[4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]morpholine
• SMILES: CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4cnn(CCN5CCOCC5)c4)sc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.CC1(C)OB(c2cnn(CCN3CCOCC3)c2)OC1(C)C.Clc1ncnc2cc(-c3cnn(CCN4CCOCC4)c3)sc12.Clc1ncnc2cc(Br)sc12.N#COCc1ccc(F)cc1.O=C(NCc1ccc(F)cc1)N1CCN(c2ncnc3cc(-c4cnn(CCN5CCOCC5)c4)sc23)CC1.c1nc(N2CCCCC2)c2sc(-c3cnn(CCN4CCOCC4)c3)cc2n1
• InChI: InChI=1S/C27H31FN8O2S.C24H33N7O3S.C20H26N6OS.C15H26BN3O3.C15H16ClN5OS.C9H18N2O2.C8H6FNO.C6H2BrClN2S/c28-22-3-1-20(2-4-22)16-29-27(37)35-8-6-34(7-9-35)26-25-23(30-19-31-26)15-24(39-25)21-17-32-36(18-21)10-5-33-11-13-38-14-12-33;1-24(2,3)34-23(32)30-7-5-29(6-8-30)22-21-19(25-17-26-22)14-20(35-21)18-15-27-31(16-18)9-4-28-10-12-33-13-11-28;1-2-4-25(5-3-1)20-19-17(21-15-22-20)12-18(28-19)16-13-23-26(14-16)7-6-24-8-10-27-11-9-24;1-14(2)15(3,4)22-16(21-14)13-11-17-19(12-13)6-5-18-7-9-20-10-8-18;16-15-14-12(17-10-18-15)7-13(23-14)11-8-19-21(9-11)2-1-20-3-5-22-6-4-20;1-9(2,3)13-8(12)11-6-4-10-5-7-11;9-8-3-1-7(2-4-8)5-11-6-10;7-4-1-3-5(11-4)6(8)10-2-9-3/h1-4,15,17-19H,5-14,16H2,(H,29,37);14-17H,4-13H2,1-3H3;12-15H,1-11H2;11-12H,5-10H2,1-4H3;7-10H,1-6H2;10H,4-7H2,1-3H3;1-4H,5H2;1-2H
• InChIKey: JSXNWYJTZSVQRY-UHFFFAOYSA-N
• XLogP: 17.69
• TPSA: 445.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 48
• Rotatable Bonds: 27
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2692.81
LogP ≤ 5	17.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', '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-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-[2-[4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;(4-fluorophenyl)methyl cyanate;N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;4-[2-[4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]morpholine?

The IUPAC name of 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-[2-[4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;(4-fluorophenyl)methyl cyanate;N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;4-[2-[4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]morpholine (CID 159014524) is 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-[2-[4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;(4-fluorophenyl)methyl cyanate;N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;4-[2-[4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]morpholine.

What is the SMILES notation for 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-[2-[4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;(4-fluorophenyl)methyl cyanate;N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;4-[2-[4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]morpholine?

The canonical SMILES for 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-[2-[4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;(4-fluorophenyl)methyl cyanate;N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;4-[2-[4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]morpholine is CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4cnn(CCN5CCOCC5)c4)sc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.CC1(C)OB(c2cnn(CCN3CCOCC3)c2)OC1(C)C.Clc1ncnc2cc(-c3cnn(CCN4CCOCC4)c3)sc12.Clc1ncnc2cc(Br)sc12.N#COCc1ccc(F)cc1.O=C(NCc1ccc(F)cc1)N1CCN(c2ncnc3cc(-c4cnn(CCN5CCOCC5)c4)sc23)CC1.c1nc(N2CCCCC2)c2sc(-c3cnn(CCN4CCOCC4)c3)cc2n1.

What is the InChIKey of 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-[2-[4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;(4-fluorophenyl)methyl cyanate;N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;4-[2-[4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]morpholine?

The InChIKey is JSXNWYJTZSVQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN8O2S.C24H33N7O3S.C20H26N6OS.C15H26BN3O3.C15H16ClN5OS.C9H18N2O2.C8H6FNO.C6H2BrClN2S/c28-22-3-1-20(2-4-22)16-29-27(37)35-8-6-34(7-9-35)26-25-23(30-19-31-26)15-24(39-25)21-17-32-36(18-21)10-5-33-11-13-38-14-12-33;1-24(2,3)34-23(32)30-7-5-29(6-8-30)22-21-19(25-17-26-22)14-20(35-21)18-15-27-31(16-18)9-4-28-10-12-33-13-11-28;1-2-4-25(5-3-1)20-19-17(21-15-22-20)12-18(28-19)16-13-23-26(14-16)7-6-24-8-10-27-11-9-24;1-14(2)15(3,4)22-16(21-14)13-11-17-19(12-13)6-5-18-7-9-20-10-8-18;16-15-14-12(17-10-18-15)7-13(23-14)11-8-19-21(9-11)2-1-20-3-5-22-6-4-20;1-9(2,3)13-8(12)11-6-4-10-5-7-11;9-8-3-1-7(2-4-8)5-11-6-10;7-4-1-3-5(11-4)6(8)10-2-9-3/h1-4,15,17-19H,5-14,16H2,(H,29,37);14-17H,4-13H2,1-3H3;12-15H,1-11H2;11-12H,5-10H2,1-4H3;7-10H,1-6H2;10H,4-7H2,1-3H3;1-4H,5H2;1-2H.

What are the key properties of 6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-[2-[4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;(4-fluorophenyl)methyl cyanate;N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;4-[2-[4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]morpholine?

6-bromo-4-chlorothieno[3,2-d]pyrimidine;tert-butyl 4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-[2-[4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;(4-fluorophenyl)methyl cyanate;N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;4-[2-[4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]morpholine has a molecular weight of 2692.81 g/mol, XLogP of 17.69, 27 rotatable bonds, 2 hydrogen bond donors, and 48 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-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-[2-[4-(4-chlorothieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;(4-fluorophenyl)methyl cyanate;N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide;4-[2-[4-(4-piperidin-1-ylthieno[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]morpholine;4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 159014524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).