8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzothiophen-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-(trifluoromethylsulfonyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine

C69H63ClF7N15O4S2 — CID 161307459

About 8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzothiophen-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-(trifluoromethylsulfonyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine

8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzothiophen-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-(trifluoromethylsulfonyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 161307459) has the molecular formula C69H63ClF7N15O4S2 and a molecular weight of 1398.94 g/mol. Its IUPAC name is 8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzothiophen-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-(trifluoromethylsulfonyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzothiophen-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-(trifluoromethylsulfonyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine
• PubChem CID: 161307459
• Molecular Formula: C69H63ClF7N15O4S2
• Molecular Weight: 1398.94 g/mol
• Exact Mass: 1397.42
• IUPAC Name: 8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzothiophen-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-(trifluoromethylsulfonyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine
• SMILES: Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN(C)C)c(F)c3Cl)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(=O)(=O)C(F)(F)F)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCS4)ncc(-c3cc(C)nn3C)c2n1
• InChI: InChI=1S/C25H24ClF2N5O.C23H18F4N4O3S.C21H21FN6S/c1-14-12-33-24(31-14)19(17-5-4-15(13-32(2)3)23(28)22(17)26)11-30-25(33)29-10-18-16-8-9-34-21(16)7-6-20(18)27;1-13-12-31-21(30-13)17(14-2-4-15(5-3-14)35(32,33)23(25,26)27)10-28-22(31)29-11-18-16-8-9-34-20(16)7-6-19(18)24;1-12-8-18(27(3)26-12)16-10-24-21(28-11-13(2)25-20(16)28)23-9-15-14-6-7-29-19(14)5-4-17(15)22/h4-7,11-12H,8-10,13H2,1-3H3,(H,29,30);2-7,10,12H,8-9,11H2,1H3,(H,28,29);4-5,8,10-11H,6-7,9H2,1-3H3,(H,23,24)
• InChIKey: VILFSHQGZQTDDX-UHFFFAOYSA-N
• XLogP: 14.08
• TPSA: 200.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1398.94
LogP ≤ 5	14.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzothiophen-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-(trifluoromethylsulfonyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine?

The IUPAC name of 8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzothiophen-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-(trifluoromethylsulfonyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine (CID 161307459) is 8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzothiophen-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-(trifluoromethylsulfonyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine.

What is the SMILES notation for 8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzothiophen-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-(trifluoromethylsulfonyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine?

The canonical SMILES for 8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzothiophen-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-(trifluoromethylsulfonyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine is Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN(C)C)c(F)c3Cl)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(S(=O)(=O)C(F)(F)F)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCS4)ncc(-c3cc(C)nn3C)c2n1.

What is the InChIKey of 8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzothiophen-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-(trifluoromethylsulfonyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine?

The InChIKey is VILFSHQGZQTDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF2N5O.C23H18F4N4O3S.C21H21FN6S/c1-14-12-33-24(31-14)19(17-5-4-15(13-32(2)3)23(28)22(17)26)11-30-25(33)29-10-18-16-8-9-34-21(16)7-6-20(18)27;1-13-12-31-21(30-13)17(14-2-4-15(5-3-14)35(32,33)23(25,26)27)10-28-22(31)29-11-18-16-8-9-34-20(16)7-6-19(18)24;1-12-8-18(27(3)26-12)16-10-24-21(28-11-13(2)25-20(16)28)23-9-15-14-6-7-29-19(14)5-4-17(15)22/h4-7,11-12H,8-10,13H2,1-3H3,(H,29,30);2-7,10,12H,8-9,11H2,1H3,(H,28,29);4-5,8,10-11H,6-7,9H2,1-3H3,(H,23,24).

What are the key properties of 8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzothiophen-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-(trifluoromethylsulfonyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine?

8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzothiophen-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-(trifluoromethylsulfonyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 1398.94 g/mol, XLogP of 14.08, 15 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-chloro-4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzothiophen-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-(trifluoromethylsulfonyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 161307459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).