8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyridin-2-ylimidazo[1,2-c]pyrimidin-5-amine

C64H55F3N16O4S — CID 157049997

About 8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyridin-2-ylimidazo[1,2-c]pyrimidin-5-amine

8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyridin-2-ylimidazo[1,2-c]pyrimidin-5-amine (PubChem CID 157049997) has the molecular formula C64H55F3N16O4S and a molecular weight of 1201.31 g/mol. Its IUPAC name is 8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyridin-2-ylimidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyridin-2-ylimidazo[1,2-c]pyrimidin-5-amine
• PubChem CID: 157049997
• Molecular Formula: C64H55F3N16O4S
• Molecular Weight: 1201.31 g/mol
• Exact Mass: 1200.43
• IUPAC Name: 8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyridin-2-ylimidazo[1,2-c]pyrimidin-5-amine
• SMILES: Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccccn3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3nc(C)sc3C)c2n1.[C-]#[N+]c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CO)nc3)c2n1
• InChI: InChI=1S/C22H17FN6O2.C21H20FN5OS.C21H18FN5O/c1-24-20-11-29-21(28-20)16(13-2-3-14(12-30)25-8-13)9-26-22(29)27-10-17-15-6-7-31-19(15)5-4-18(17)23;1-11-10-27-20(25-11)16(19-12(2)29-13(3)26-19)9-24-21(27)23-8-15-14-6-7-28-18(14)5-4-17(15)22;1-13-12-27-20(26-13)16(18-4-2-3-8-23-18)11-25-21(27)24-10-15-14-7-9-28-19(14)6-5-17(15)22/h2-5,8-9,11,30H,6-7,10,12H2,(H,26,27);4-5,9-10H,6-8H2,1-3H3,(H,23,24);2-6,8,11-12H,7,9-10H2,1H3,(H,24,25)
• InChIKey: AABVIVZFKNBANK-UHFFFAOYSA-N
• XLogP: 11.77
• TPSA: 217.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1201.31
LogP ≤ 5	11.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyridin-2-ylimidazo[1,2-c]pyrimidin-5-amine?

The IUPAC name of 8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyridin-2-ylimidazo[1,2-c]pyrimidin-5-amine (CID 157049997) is 8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyridin-2-ylimidazo[1,2-c]pyrimidin-5-amine.

What is the SMILES notation for 8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyridin-2-ylimidazo[1,2-c]pyrimidin-5-amine?

The canonical SMILES for 8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyridin-2-ylimidazo[1,2-c]pyrimidin-5-amine is Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccccn3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3nc(C)sc3C)c2n1.[C-]#[N+]c1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CO)nc3)c2n1.

What is the InChIKey of 8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyridin-2-ylimidazo[1,2-c]pyrimidin-5-amine?

The InChIKey is AABVIVZFKNBANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O2.C21H20FN5OS.C21H18FN5O/c1-24-20-11-29-21(28-20)16(13-2-3-14(12-30)25-8-13)9-26-22(29)27-10-17-15-6-7-31-19(15)5-4-18(17)23;1-11-10-27-20(25-11)16(19-12(2)29-13(3)26-19)9-24-21(27)23-8-15-14-6-7-28-18(14)5-4-17(15)22;1-13-12-27-20(26-13)16(18-4-2-3-8-23-18)11-25-21(27)24-10-15-14-7-9-28-19(14)6-5-17(15)22/h2-5,8-9,11,30H,6-7,10,12H2,(H,26,27);4-5,9-10H,6-8H2,1-3H3,(H,23,24);2-6,8,11-12H,7,9-10H2,1H3,(H,24,25).

What are the key properties of 8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyridin-2-ylimidazo[1,2-c]pyrimidin-5-amine?

8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyridin-2-ylimidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 1201.31 g/mol, XLogP of 11.77, 13 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-isocyanoimidazo[1,2-c]pyrimidin-8-yl]-2-pyridinyl]methanol;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-pyridin-2-ylimidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 157049997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).