5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-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

C54H70BBrN14O8S2 — CID 159809539

About 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-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

5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-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 (PubChem CID 159809539) has the molecular formula C54H70BBrN14O8S2 and a molecular weight of 1198.09 g/mol. Its IUPAC name is 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-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.

Molecular Properties

• Compound Name: 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-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
• PubChem CID: 159809539
• Molecular Formula: C54H70BBrN14O8S2
• Molecular Weight: 1198.09 g/mol
• Exact Mass: 1196.42
• IUPAC Name: 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-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
• SMILES: CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2csc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc23)CC1.Nc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cn1
• InChI: InChI=1S/C24H29N7O3S.C16H28BNO4.C14H13BrN6OS/c1-24(2,3)34-23(32)31-6-4-15(5-7-31)17-14-35-20-18(16-12-26-21(25)27-13-16)28-22(29-19(17)20)30-8-10-33-11-9-30;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;15-9-7-23-12-10(8-5-17-13(16)18-6-8)19-14(20-11(9)12)21-1-3-22-4-2-21/h4,12-14H,5-11H2,1-3H3,(H2,25,26,27);8H,9-11H2,1-7H3;5-7H,1-4H2,(H2,16,17,18)
• InChIKey: NKVPMHYLUUUVHP-UHFFFAOYSA-N
• XLogP: 9.11
• TPSA: 257.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 6
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1198.09
LogP ≤ 5	9.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-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?

The IUPAC name of 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-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 (CID 159809539) is 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-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.

What is the SMILES notation for 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-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?

The canonical SMILES for 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-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 is CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2csc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc23)CC1.Nc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cn1.

What is the InChIKey of 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-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?

The InChIKey is NKVPMHYLUUUVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3S.C16H28BNO4.C14H13BrN6OS/c1-24(2,3)34-23(32)31-6-4-15(5-7-31)17-14-35-20-18(16-12-26-21(25)27-13-16)28-22(29-19(17)20)30-8-10-33-11-9-30;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;15-9-7-23-12-10(8-5-17-13(16)18-6-8)19-14(20-11(9)12)21-1-3-22-4-2-21/h4,12-14H,5-11H2,1-3H3,(H2,25,26,27);8H,9-11H2,1-7H3;5-7H,1-4H2,(H2,16,17,18).

What are the key properties of 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-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?

5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-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 has a molecular weight of 1198.09 g/mol, XLogP of 9.11, 6 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine;tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-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 is sourced from PubChem (CID 159809539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).