8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine

C72H68F3N13O5 — CID 159503819

IUPAC8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cc1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccc(C(=O)O)c3)c2n1.[2H]C([2H])(c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)c(C)c1)N(C)C
InChIInChI=1S/C26H28FN5O.C23H19FN4O3.C23H21FN4O/c1-16-11-18(15-31(3)4)5-6-19(16)22-13-29-26(32-14-17(2)30-25(22)32)28-12-21-20-9-10-33-24(20)8-7-23(21)27;1-13-12-28-21(27-13)17(14-3-2-4-15(9-14)22(29)30)10-25-23(28)26-11-18-16-7-8-31-20(16)6-5-19(18)24;1-14-3-5-16(6-4-14)18-11-25-23(28-13-15(2)27-22(18)28)26-12-19-17-9-10-29-21(17)8-7-20(19)24/h5-8,11,13-14H,9-10,12,15H2,1-4H3,(H,28,29);2-6,9-10,12H,7-8,11H2,1H3,(H,25,26)(H,29,30);3-8,11,13H,9-10,12H2,1-2H3,(H,25,26)/i15D2;;
InChIKeyLZSOODUPQJNRAY-ZWFFIOJKSA-N
MW1254.43 g/mol
LogP13.55
Rot. Bonds15

About 8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine

8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 159503819) has the molecular formula C72H68F3N13O5 and a molecular weight of 1254.43 g/mol. Its IUPAC name is 8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine
PubChem CID159503819
Molecular FormulaC72H68F3N13O5
Molecular Weight1254.43 g/mol
Exact Mass1253.55
IUPAC Name8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cc1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccc(C(=O)O)c3)c2n1.[2H]C([2H])(c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)c(C)c1)N(C)C
InChIInChI=1S/C26H28FN5O.C23H19FN4O3.C23H21FN4O/c1-16-11-18(15-31(3)4)5-6-19(16)22-13-29-26(32-14-17(2)30-25(22)32)28-12-21-20-9-10-33-24(20)8-7-23(21)27;1-13-12-28-21(27-13)17(14-3-2-4-15(9-14)22(29)30)10-25-23(28)26-11-18-16-7-8-31-20(16)6-5-19(18)24;1-14-3-5-16(6-4-14)18-11-25-23(28-13-15(2)27-22(18)28)26-12-19-17-9-10-29-21(17)8-7-20(19)24/h5-8,11,13-14H,9-10,12,15H2,1-4H3,(H,28,29);2-6,9-10,12H,7-8,11H2,1H3,(H,25,26)(H,29,30);3-8,11,13H,9-10,12H2,1-2H3,(H,25,26)/i15D2;;
InChIKeyLZSOODUPQJNRAY-ZWFFIOJKSA-N
XLogP13.55
TPSA194.89 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001254.43
LogP ≤ 513.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine with MolForge

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Related Compounds

US10087188, Example 172
CID 121455794
US10087188, Example 100
CID 121454976
US10087188, Example 66
CID 121455590
US10087188, Example 149
CID 121455803
US10087188, Example 90
CID 121455683
US10087188, Example 88
CID 121455757
US10087188, Example 98
CID 121455835
US10087188, Example 173
CID 121455870
US10087188, Example 101
CID 121455886
5-(2-Cyano-5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)amino)imidazo[1,2-c]pyrimidin-8-yl)picolinic acid
CID 155676938
US11091495, Example 43
CID 155787971
US11091495, Example 180
CID 155787974

Frequently Asked Questions

What is the IUPAC name of 8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine (CID 159503819) is 8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine is Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)cc1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccc(C(=O)O)c3)c2n1.[2H]C([2H])(c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C)nc23)c(C)c1)N(C)C.
What is the InChIKey of 8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is LZSOODUPQJNRAY-ZWFFIOJKSA-N. The full InChI is InChI=1S/C26H28FN5O.C23H19FN4O3.C23H21FN4O/c1-16-11-18(15-31(3)4)5-6-19(16)22-13-29-26(32-14-17(2)30-25(22)32)28-12-21-20-9-10-33-24(20)8-7-23(21)27;1-13-12-28-21(27-13)17(14-3-2-4-15(9-14)22(29)30)10-25-23(28)26-11-18-16-7-8-31-20(16)6-5-19(18)24;1-14-3-5-16(6-4-14)18-11-25-23(28-13-15(2)27-22(18)28)26-12-19-17-9-10-29-21(17)8-7-20(19)24/h5-8,11,13-14H,9-10,12,15H2,1-4H3,(H,28,29);2-6,9-10,12H,7-8,11H2,1H3,(H,25,26)(H,29,30);3-8,11,13H,9-10,12H2,1-2H3,(H,25,26)/i15D2;;.
What are the key properties of 8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine?
8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 1254.43 g/mol, XLogP of 13.55, 15 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[dideuterio(dimethylamino)methyl]-2-methylphenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;3-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 159503819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).