5-bromo-2-morpholin-4-ylpyridin-4-amine;tert-butyl 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-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

C44H68BBrN8O8 — CID 158861318

About 5-bromo-2-morpholin-4-ylpyridin-4-amine;tert-butyl 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-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-bromo-2-morpholin-4-ylpyridin-4-amine;tert-butyl 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-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 158861318) has the molecular formula C44H68BBrN8O8 and a molecular weight of 927.79 g/mol. Its IUPAC name is 5-bromo-2-morpholin-4-ylpyridin-4-amine;tert-butyl 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-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-bromo-2-morpholin-4-ylpyridin-4-amine;tert-butyl 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-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: 158861318
• Molecular Formula: C44H68BBrN8O8
• Molecular Weight: 927.79 g/mol
• Exact Mass: 926.44
• IUPAC Name: 5-bromo-2-morpholin-4-ylpyridin-4-amine;tert-butyl 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-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(c2cnc(N3CCOCC3)cc2N)CC1.Nc1cc(N2CCOCC2)ncc1Br
• InChI: InChI=1S/C19H28N4O3.C16H28BNO4.C9H12BrN3O/c1-19(2,3)26-18(24)23-6-4-14(5-7-23)15-13-21-17(12-16(15)20)22-8-10-25-11-9-22;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;10-7-6-12-9(5-8(7)11)13-1-3-14-4-2-13/h4,12-13H,5-11H2,1-3H3,(H2,20,21);8H,9-11H2,1-7H3;5-6H,1-4H2,(H2,11,12)
• InChIKey: JARRCVVCMIQMDS-UHFFFAOYSA-N
• XLogP: 6.97
• TPSA: 180.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	927.79
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-morpholin-4-ylpyridin-4-amine;tert-butyl 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-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-bromo-2-morpholin-4-ylpyridin-4-amine;tert-butyl 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-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 158861318) is 5-bromo-2-morpholin-4-ylpyridin-4-amine;tert-butyl 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-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-bromo-2-morpholin-4-ylpyridin-4-amine;tert-butyl 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-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-bromo-2-morpholin-4-ylpyridin-4-amine;tert-butyl 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-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(c2cnc(N3CCOCC3)cc2N)CC1.Nc1cc(N2CCOCC2)ncc1Br.

What is the InChIKey of 5-bromo-2-morpholin-4-ylpyridin-4-amine;tert-butyl 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-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 JARRCVVCMIQMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3.C16H28BNO4.C9H12BrN3O/c1-19(2,3)26-18(24)23-6-4-14(5-7-23)15-13-21-17(12-16(15)20)22-8-10-25-11-9-22;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;10-7-6-12-9(5-8(7)11)13-1-3-14-4-2-13/h4,12-13H,5-11H2,1-3H3,(H2,20,21);8H,9-11H2,1-7H3;5-6H,1-4H2,(H2,11,12).

What are the key properties of 5-bromo-2-morpholin-4-ylpyridin-4-amine;tert-butyl 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-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-bromo-2-morpholin-4-ylpyridin-4-amine;tert-butyl 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-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 927.79 g/mol, XLogP of 6.97, 4 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-morpholin-4-ylpyridin-4-amine;tert-butyl 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-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 158861318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).