4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyrimidin-4-ylimidazo[1,2-c]pyrimidin-5-amine

C₆₇H₆₃F₃N₁₆O₇S₂ — CID 157135971

About 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyrimidin-4-ylimidazo[1,2-c]pyrimidin-5-amine

4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyrimidin-4-ylimidazo[1,2-c]pyrimidin-5-amine (PubChem CID 157135971) has the molecular formula C₆₇H₆₃F₃N₁₆O₇S₂ and a molecular weight of 1325.47 g/mol. Its IUPAC name is 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyrimidin-4-ylimidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyrimidin-4-ylimidazo[1,2-c]pyrimidin-5-amine
• PubChem CID: 157135971
• Molecular Formula: C₆₇H₆₃F₃N₁₆O₇S₂
• Molecular Weight: 1325.47 g/mol
• Exact Mass: 1324.45
• IUPAC Name: 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyrimidin-4-ylimidazo[1,2-c]pyrimidin-5-amine
• SMILES: CNS(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cc1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(=O)(=O)N(C)C)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccncn3)c2n1
• InChI: InChI=1S/C24H24FN5O3S.C23H22FN5O3S.C20H17FN6O/c1-15-14-30-23(28-15)19(16-4-6-17(7-5-16)34(31,32)29(2)3)12-26-24(30)27-13-20-18-10-11-33-22(18)9-8-21(20)25;1-14-13-29-22(28-14)18(15-3-5-16(6-4-15)33(30,31)25-2)11-26-23(29)27-12-19-17-9-10-32-21(17)8-7-20(19)24;1-12-10-27-19(26-12)15(17-4-6-22-11-25-17)9-24-20(27)23-8-14-13-5-7-28-18(13)3-2-16(14)21/h4-9,12,14H,10-11,13H2,1-3H3,(H,26,27);3-8,11,13,25H,9-10,12H2,1-2H3,(H,26,27);2-4,6,9-11H,5,7-8H2,1H3,(H,23,24)
• InChIKey: AJPXDNFMBGMYFE-UHFFFAOYSA-N
• XLogP: 10.12
• TPSA: 263.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1325.47
LogP ≤ 5	10.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyrimidin-4-ylimidazo[1,2-c]pyrimidin-5-amine?

The IUPAC name of 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyrimidin-4-ylimidazo[1,2-c]pyrimidin-5-amine (CID 157135971) is 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyrimidin-4-ylimidazo[1,2-c]pyrimidin-5-amine.

What is the SMILES notation for 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyrimidin-4-ylimidazo[1,2-c]pyrimidin-5-amine?

The canonical SMILES for 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyrimidin-4-ylimidazo[1,2-c]pyrimidin-5-amine is CNS(=O)(=O)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cc1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(=O)(=O)N(C)C)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccncn3)c2n1.

What is the InChIKey of 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyrimidin-4-ylimidazo[1,2-c]pyrimidin-5-amine?

The InChIKey is AJPXDNFMBGMYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3S.C23H22FN5O3S.C20H17FN6O/c1-15-14-30-23(28-15)19(16-4-6-17(7-5-16)34(31,32)29(2)3)12-26-24(30)27-13-20-18-10-11-33-22(18)9-8-21(20)25;1-14-13-29-22(28-14)18(15-3-5-16(6-4-15)33(30,31)25-2)11-26-23(29)27-12-19-17-9-10-32-21(17)8-7-20(19)24;1-12-10-27-19(26-12)15(17-4-6-22-11-25-17)9-24-20(27)23-8-14-13-5-7-28-18(13)3-2-16(14)21/h4-9,12,14H,10-11,13H2,1-3H3,(H,26,27);3-8,11,13,25H,9-10,12H2,1-2H3,(H,26,27);2-4,6,9-11H,5,7-8H2,1H3,(H,23,24).

What are the key properties of 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyrimidin-4-ylimidazo[1,2-c]pyrimidin-5-amine?

4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyrimidin-4-ylimidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 1325.47 g/mol, XLogP of 10.12, 16 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N-methylbenzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyrimidin-4-ylimidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 157135971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157135971 — identifiers, structure, computed properties (public domain)

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