8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile;ethane

C26H30FN7O — CID 176698617

About 8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile;ethane

8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile;ethane (PubChem CID 176698617) has the molecular formula C26H30FN7O and a molecular weight of 475.57 g/mol. Its IUPAC name is 8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile;ethane.

Molecular Properties

• Compound Name: 8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile;ethane
• PubChem CID: 176698617
• Molecular Formula: C26H30FN7O
• Molecular Weight: 475.57 g/mol
• Exact Mass: 475.25
• IUPAC Name: 8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile;ethane
• SMILES: CC.CC.Cc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(C)n1
• InChI: InChI=1S/C22H18FN7O.2C2H6/c1-12-16(8-25-13(2)28-12)18-10-27-22(30-11-14(7-24)29-21(18)30)26-9-17-15-5-6-31-20(15)4-3-19(17)23;2*1-2/h3-4,8,10-11H,5-6,9H2,1-2H3,(H,26,27);2*1-2H3
• InChIKey: FTZXZLURHVOUGP-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 101.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.57
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile;ethane?

The IUPAC name of 8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile;ethane (CID 176698617) is 8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile;ethane.

What is the SMILES notation for 8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile;ethane?

The canonical SMILES for 8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile;ethane is CC.CC.Cc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)c(C)n1.

What is the InChIKey of 8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile;ethane?

The InChIKey is FTZXZLURHVOUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN7O.2C2H6/c1-12-16(8-25-13(2)28-12)18-10-27-22(30-11-14(7-24)29-21(18)30)26-9-17-15-5-6-31-20(15)4-3-19(17)23;2*1-2/h3-4,8,10-11H,5-6,9H2,1-2H3,(H,26,27);2*1-2H3.

What are the key properties of 8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile;ethane?

8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile;ethane has a molecular weight of 475.57 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,4-dimethylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile;ethane is sourced from PubChem (CID 176698617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).