1-(2,6-dimethyl-3-pyridinyl)-8-(2,4-dimethylpyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine

C28H26FN7O — CID 139346165

About 1-(2,6-dimethyl-3-pyridinyl)-8-(2,4-dimethylpyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine

1-(2,6-dimethyl-3-pyridinyl)-8-(2,4-dimethylpyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine (PubChem CID 139346165) has the molecular formula C28H26FN7O and a molecular weight of 495.56 g/mol. Its IUPAC name is 1-(2,6-dimethyl-3-pyridinyl)-8-(2,4-dimethylpyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 1-(2,6-dimethyl-3-pyridinyl)-8-(2,4-dimethylpyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine
• PubChem CID: 139346165
• Molecular Formula: C28H26FN7O
• Molecular Weight: 495.56 g/mol
• Exact Mass: 495.22
• IUPAC Name: 1-(2,6-dimethyl-3-pyridinyl)-8-(2,4-dimethylpyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine
• SMILES: Cc1ccc(-c2ncn3c(NCc4c(F)ccc5c4CCO5)ncc(-c4cnc(C)nc4C)c23)c(C)n1
• InChI: InChI=1S/C28H26FN7O/c1-15-5-6-19(16(2)34-15)26-27-23(21-11-30-18(4)35-17(21)3)13-32-28(36(27)14-33-26)31-12-22-20-9-10-37-25(20)8-7-24(22)29/h5-8,11,13-14H,9-10,12H2,1-4H3,(H,31,32)
• InChIKey: DCRVHULDTVKEEV-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 90.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.56
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-8-(2,4-dimethylpyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine?

The IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-8-(2,4-dimethylpyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine (CID 139346165) is 1-(2,6-dimethyl-3-pyridinyl)-8-(2,4-dimethylpyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine.

What is the SMILES notation for 1-(2,6-dimethyl-3-pyridinyl)-8-(2,4-dimethylpyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine?

The canonical SMILES for 1-(2,6-dimethyl-3-pyridinyl)-8-(2,4-dimethylpyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine is Cc1ccc(-c2ncn3c(NCc4c(F)ccc5c4CCO5)ncc(-c4cnc(C)nc4C)c23)c(C)n1.

What is the InChIKey of 1-(2,6-dimethyl-3-pyridinyl)-8-(2,4-dimethylpyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine?

The InChIKey is DCRVHULDTVKEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN7O/c1-15-5-6-19(16(2)34-15)26-27-23(21-11-30-18(4)35-17(21)3)13-32-28(36(27)14-33-26)31-12-22-20-9-10-37-25(20)8-7-24(22)29/h5-8,11,13-14H,9-10,12H2,1-4H3,(H,31,32).

What are the key properties of 1-(2,6-dimethyl-3-pyridinyl)-8-(2,4-dimethylpyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine?

1-(2,6-dimethyl-3-pyridinyl)-8-(2,4-dimethylpyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine has a molecular weight of 495.56 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-dimethyl-3-pyridinyl)-8-(2,4-dimethylpyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 139346165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).