2,6-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-phenylimidazo[1,2-c]pyrimidin-5-amine

C69H61F5N14O6S — CID 159658167

About 2,6-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-phenylimidazo[1,2-c]pyrimidin-5-amine

2,6-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-phenylimidazo[1,2-c]pyrimidin-5-amine (PubChem CID 159658167) has the molecular formula C69H61F5N14O6S and a molecular weight of 1309.40 g/mol. Its IUPAC name is 2,6-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-phenylimidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 2,6-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-phenylimidazo[1,2-c]pyrimidin-5-amine
• PubChem CID: 159658167
• Molecular Formula: C69H61F5N14O6S
• Molecular Weight: 1309.40 g/mol
• Exact Mass: 1308.45
• IUPAC Name: 2,6-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-phenylimidazo[1,2-c]pyrimidin-5-amine
• SMILES: Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(F)c(C(=O)N(C)C)c(F)c3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(N)(=O)=O)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccccc3)c2n1
• InChI: InChI=1S/C25H22F3N5O2.C22H20FN5O3S.C22H19FN4O/c1-13-12-33-23(31-13)16(14-8-19(27)22(20(28)9-14)24(34)32(2)3)10-29-25(33)30-11-17-15-6-7-35-21(15)5-4-18(17)26;1-13-12-28-21(27-13)17(14-2-4-15(5-3-14)32(24,29)30)10-25-22(28)26-11-18-16-8-9-31-20(16)7-6-19(18)23;1-14-13-27-21(26-14)17(15-5-3-2-4-6-15)11-24-22(27)25-12-18-16-9-10-28-20(16)8-7-19(18)23/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,29,30);2-7,10,12H,8-9,11H2,1H3,(H,25,26)(H2,24,29,30);2-8,11,13H,9-10,12H2,1H3,(H,24,25)
• InChIKey: MSLFALJQWZQZMR-UHFFFAOYSA-N
• XLogP: 11.80
• TPSA: 234.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1309.40
LogP ≤ 5	11.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-phenylimidazo[1,2-c]pyrimidin-5-amine?

The IUPAC name of 2,6-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-phenylimidazo[1,2-c]pyrimidin-5-amine (CID 159658167) is 2,6-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-phenylimidazo[1,2-c]pyrimidin-5-amine.

What is the SMILES notation for 2,6-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-phenylimidazo[1,2-c]pyrimidin-5-amine?

The canonical SMILES for 2,6-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-phenylimidazo[1,2-c]pyrimidin-5-amine is Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(F)c(C(=O)N(C)C)c(F)c3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(N)(=O)=O)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccccc3)c2n1.

What is the InChIKey of 2,6-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-phenylimidazo[1,2-c]pyrimidin-5-amine?

The InChIKey is MSLFALJQWZQZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O2.C22H20FN5O3S.C22H19FN4O/c1-13-12-33-23(31-13)16(14-8-19(27)22(20(28)9-14)24(34)32(2)3)10-29-25(33)30-11-17-15-6-7-35-21(15)5-4-18(17)26;1-13-12-28-21(27-13)17(14-2-4-15(5-3-14)32(24,29)30)10-25-22(28)26-11-18-16-8-9-31-20(16)7-6-19(18)23;1-14-13-27-21(26-14)17(15-5-3-2-4-6-15)11-24-22(27)25-12-18-16-9-10-28-20(16)8-7-19(18)23/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,29,30);2-7,10,12H,8-9,11H2,1H3,(H,25,26)(H2,24,29,30);2-8,11,13H,9-10,12H2,1H3,(H,24,25).

What are the key properties of 2,6-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-phenylimidazo[1,2-c]pyrimidin-5-amine?

2,6-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-phenylimidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 1309.40 g/mol, XLogP of 11.80, 14 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzenesulfonamide;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-phenylimidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 159658167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).