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

C23H23FN5O2P — CID 164982452

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

1-dimethylphosphoryl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine (PubChem CID 164982452) has the molecular formula C23H23FN5O2P and a molecular weight of 451.44 g/mol. Its IUPAC name is 1-dimethylphosphoryl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 1-dimethylphosphoryl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine
• PubChem CID: 164982452
• Molecular Formula: C23H23FN5O2P
• Molecular Weight: 451.44 g/mol
• Exact Mass: 451.16
• IUPAC Name: 1-dimethylphosphoryl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine
• SMILES: Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(P(C)(C)=O)c23)cn1
• InChI: InChI=1S/C23H23FN5O2P/c1-14-4-5-15(10-25-14)17-11-26-23(29-13-28-22(21(17)29)32(2,3)30)27-12-18-16-8-9-31-20(16)7-6-19(18)24/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,26,27)
• InChIKey: FRNLMDBUUKWXQQ-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 81.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.44
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-dimethylphosphoryl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine (CID 164982452) is 1-dimethylphosphoryl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine.

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

The canonical SMILES for 1-dimethylphosphoryl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine is Cc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(P(C)(C)=O)c23)cn1.

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

The InChIKey is FRNLMDBUUKWXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN5O2P/c1-14-4-5-15(10-25-14)17-11-26-23(29-13-28-22(21(17)29)32(2,3)30)27-12-18-16-8-9-31-20(16)7-6-19(18)24/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,26,27).

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

1-dimethylphosphoryl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine has a molecular weight of 451.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-dimethylphosphoryl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 164982452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).