2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl 8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylic acid

C69H74BBrF3N15O12 — CID 159168420

About 2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl 8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylic acid

2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl 8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylic acid (PubChem CID 159168420) has the molecular formula C69H74BBrF3N15O12 and a molecular weight of 1453.15 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl 8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl 8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylic acid
• PubChem CID: 159168420
• Molecular Formula: C69H74BBrF3N15O12
• Molecular Weight: 1453.15 g/mol
• Exact Mass: 1451.49
• IUPAC Name: 2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl 8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylic acid
• SMILES: CC1(C)OB(C2=CCOCC2)OC1(C)C.CCOC(=O)c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(Br)c2n1.N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(N3CCOCC3)c2n1.O=C(O)c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(N3CCOCC3)c2n1
• InChI: InChI=1S/C20H19FN6O2.C20H20FN5O4.C18H16BrFN4O3.C11H19BO3/c21-16-1-2-18-14(3-6-29-18)15(16)10-23-20-24-11-17(26-4-7-28-8-5-26)19-25-13(9-22)12-27(19)20;21-14-1-2-17-12(3-6-30-17)13(14)9-22-20-23-10-16(25-4-7-29-8-5-25)18-24-15(19(27)28)11-26(18)20;1-2-26-17(25)14-9-24-16(23-14)12(19)8-22-18(24)21-7-11-10-5-6-27-15(10)4-3-13(11)20;1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9/h1-2,11-12H,3-8,10H2,(H,23,24);1-2,10-11H,3-9H2,(H,22,23)(H,27,28);3-4,8-9H,2,5-7H2,1H3,(H,21,22);5H,6-8H2,1-4H3
• InChIKey: KLJHZFYSNDTIPQ-UHFFFAOYSA-N
• XLogP: 9.39
• TPSA: 294.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1453.15
LogP ≤ 5	9.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl 8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylic acid?

The IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl 8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylic acid (CID 159168420) is 2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl 8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylic acid.

What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl 8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylic acid?

The canonical SMILES for 2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl 8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylic acid is CC1(C)OB(C2=CCOCC2)OC1(C)C.CCOC(=O)c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(Br)c2n1.N#Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(N3CCOCC3)c2n1.O=C(O)c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(N3CCOCC3)c2n1.

What is the InChIKey of 2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl 8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylic acid?

The InChIKey is KLJHZFYSNDTIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2.C20H20FN5O4.C18H16BrFN4O3.C11H19BO3/c21-16-1-2-18-14(3-6-29-18)15(16)10-23-20-24-11-17(26-4-7-28-8-5-26)19-25-13(9-22)12-27(19)20;21-14-1-2-17-12(3-6-30-17)13(14)9-22-20-23-10-16(25-4-7-29-8-5-25)18-24-15(19(27)28)11-26(18)20;1-2-26-17(25)14-9-24-16(23-14)12(19)8-22-18(24)21-7-11-10-5-6-27-15(10)4-3-13(11)20;1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9/h1-2,11-12H,3-8,10H2,(H,23,24);1-2,10-11H,3-9H2,(H,22,23)(H,27,28);3-4,8-9H,2,5-7H2,1H3,(H,21,22);5H,6-8H2,1-4H3.

What are the key properties of 2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl 8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylic acid?

2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl 8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylic acid has a molecular weight of 1453.15 g/mol, XLogP of 9.39, 15 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl 8-bromo-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carbonitrile;5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 159168420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).