8-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(3,3-difluoroazetidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine

C81H80F5N15O4 — CID 159024689

About 8-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(3,3-difluoroazetidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine

8-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(3,3-difluoroazetidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine (PubChem CID 159024689) has the molecular formula C81H80F5N15O4 and a molecular weight of 1422.62 g/mol. Its IUPAC name is 8-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(3,3-difluoroazetidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 8-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(3,3-difluoroazetidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
• PubChem CID: 159024689
• Molecular Formula: C81H80F5N15O4
• Molecular Weight: 1422.62 g/mol
• Exact Mass: 1421.64
• IUPAC Name: 8-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(3,3-difluoroazetidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
• SMILES: COC1CN(Cc2ccc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cc(C)nc34)cc2)C1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CC(F)(F)C4)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CC5CC5C4)cc3)c2n1
• InChI: InChI=1S/C28H28FN5O.C27H28FN5O2.C26H24F3N5O/c1-17-13-34-27(32-17)23(19-4-2-18(3-5-19)14-33-15-20-10-21(20)16-33)11-30-28(34)31-12-24-22-8-9-35-26(22)7-6-25(24)29;1-17-13-33-26(31-17)22(19-5-3-18(4-6-19)14-32-15-20(16-32)34-2)11-29-27(33)30-12-23-21-9-10-35-25(21)8-7-24(23)28;1-16-12-34-24(32-16)20(18-4-2-17(3-5-18)13-33-14-26(28,29)15-33)10-30-25(34)31-11-21-19-8-9-35-23(19)7-6-22(21)27/h2-7,11,13,20-21H,8-10,12,14-16H2,1H3,(H,30,31);3-8,11,13,20H,9-10,12,14-16H2,1-2H3,(H,29,30);2-7,10,12H,8-9,11,13-15H2,1H3,(H,30,31)
• InChIKey: JUDFJOILVGMGEV-UHFFFAOYSA-N
• XLogP: 13.91
• TPSA: 173.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1422.62
LogP ≤ 5	13.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 8-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(3,3-difluoroazetidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?

The IUPAC name of 8-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(3,3-difluoroazetidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine (CID 159024689) is 8-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(3,3-difluoroazetidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine.

What is the SMILES notation for 8-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(3,3-difluoroazetidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?

The canonical SMILES for 8-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(3,3-difluoroazetidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine is COC1CN(Cc2ccc(-c3cnc(NCc4c(F)ccc5c4CCO5)n4cc(C)nc34)cc2)C1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CC(F)(F)C4)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN4CC5CC5C4)cc3)c2n1.

What is the InChIKey of 8-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(3,3-difluoroazetidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?

The InChIKey is JUDFJOILVGMGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O.C27H28FN5O2.C26H24F3N5O/c1-17-13-34-27(32-17)23(19-4-2-18(3-5-19)14-33-15-20-10-21(20)16-33)11-30-28(34)31-12-24-22-8-9-35-26(22)7-6-25(24)29;1-17-13-33-26(31-17)22(19-5-3-18(4-6-19)14-32-15-20(16-32)34-2)11-29-27(33)30-12-23-21-9-10-35-25(21)8-7-24(23)28;1-16-12-34-24(32-16)20(18-4-2-17(3-5-18)13-33-14-26(28,29)15-33)10-30-25(34)31-11-21-19-8-9-35-23(19)7-6-22(21)27/h2-7,11,13,20-21H,8-10,12,14-16H2,1H3,(H,30,31);3-8,11,13,20H,9-10,12,14-16H2,1-2H3,(H,29,30);2-7,10,12H,8-9,11,13-15H2,1H3,(H,30,31).

What are the key properties of 8-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(3,3-difluoroazetidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?

8-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(3,3-difluoroazetidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 1422.62 g/mol, XLogP of 13.91, 19 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(3,3-difluoroazetidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 159024689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).