8-(4-chloro-3-pyridinyl)-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]-2-methyl-8-(4-methylpyrimidin-5-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine

C₆₃H₅₄ClF₆N₁₇O₃ — CID 160596399

About 8-(4-chloro-3-pyridinyl)-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]-2-methyl-8-(4-methylpyrimidin-5-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine

8-(4-chloro-3-pyridinyl)-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]-2-methyl-8-(4-methylpyrimidin-5-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 160596399) has the molecular formula C₆₃H₅₄ClF₆N₁₇O₃ and a molecular weight of 1246.68 g/mol. Its IUPAC name is 8-(4-chloro-3-pyridinyl)-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]-2-methyl-8-(4-methylpyrimidin-5-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 8-(4-chloro-3-pyridinyl)-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]-2-methyl-8-(4-methylpyrimidin-5-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine
• PubChem CID: 160596399
• Molecular Formula: C₆₃H₅₄ClF₆N₁₇O₃
• Molecular Weight: 1246.68 g/mol
• Exact Mass: 1245.42
• IUPAC Name: 8-(4-chloro-3-pyridinyl)-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]-2-methyl-8-(4-methylpyrimidin-5-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine
• SMILES: Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnccc3Cl)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cncnc3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(CC(F)(F)F)c3)c2n1
• InChI: InChI=1S/C21H17ClFN5O.C21H18F4N6O.C21H19FN6O/c1-12-11-28-20(27-12)16(14-8-24-6-4-17(14)22)10-26-21(28)25-9-15-13-5-7-29-19(13)3-2-18(15)23;1-12-9-31-19(29-12)15(13-6-28-30(10-13)11-21(23,24)25)7-26-20(31)27-8-16-14-4-5-32-18(14)3-2-17(16)22;1-12-10-28-20(27-12)17(15-7-23-11-26-13(15)2)9-25-21(28)24-8-16-14-5-6-29-19(14)4-3-18(16)22/h2-4,6,8,10-11H,5,7,9H2,1H3,(H,25,26);2-3,6-7,9-10H,4-5,8,11H2,1H3,(H,26,27);3-4,7,9-11H,5-6,8H2,1-2H3,(H,24,25)
• InChIKey: RDRQXYMQHMGPSD-UHFFFAOYSA-N
• XLogP: 12.08
• TPSA: 210.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1246.68
LogP ≤ 5	12.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-3-pyridinyl)-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]-2-methyl-8-(4-methylpyrimidin-5-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine?

The IUPAC name of 8-(4-chloro-3-pyridinyl)-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]-2-methyl-8-(4-methylpyrimidin-5-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine (CID 160596399) is 8-(4-chloro-3-pyridinyl)-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]-2-methyl-8-(4-methylpyrimidin-5-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine.

What is the SMILES notation for 8-(4-chloro-3-pyridinyl)-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]-2-methyl-8-(4-methylpyrimidin-5-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine?

The canonical SMILES for 8-(4-chloro-3-pyridinyl)-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]-2-methyl-8-(4-methylpyrimidin-5-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine is Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnccc3Cl)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cncnc3C)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(CC(F)(F)F)c3)c2n1.

What is the InChIKey of 8-(4-chloro-3-pyridinyl)-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]-2-methyl-8-(4-methylpyrimidin-5-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine?

The InChIKey is RDRQXYMQHMGPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN5O.C21H18F4N6O.C21H19FN6O/c1-12-11-28-20(27-12)16(14-8-24-6-4-17(14)22)10-26-21(28)25-9-15-13-5-7-29-19(13)3-2-18(15)23;1-12-9-31-19(29-12)15(13-6-28-30(10-13)11-21(23,24)25)7-26-20(31)27-8-16-14-4-5-32-18(14)3-2-17(16)22;1-12-10-28-20(27-12)17(15-7-23-11-26-13(15)2)9-25-21(28)24-8-16-14-5-6-29-19(14)4-3-18(16)22/h2-4,6,8,10-11H,5,7,9H2,1H3,(H,25,26);2-3,6-7,9-10H,4-5,8,11H2,1H3,(H,26,27);3-4,7,9-11H,5-6,8H2,1-2H3,(H,24,25).

What are the key properties of 8-(4-chloro-3-pyridinyl)-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]-2-methyl-8-(4-methylpyrimidin-5-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine?

8-(4-chloro-3-pyridinyl)-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]-2-methyl-8-(4-methylpyrimidin-5-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 1246.68 g/mol, XLogP of 12.08, 13 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-chloro-3-pyridinyl)-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]-2-methyl-8-(4-methylpyrimidin-5-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 160596399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 160596399 — identifiers, structure, computed properties (public domain)

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