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

C23H22FN4O2P — CID 155580049

IUPAC1-dimethylphosphoryl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenylimidazo[1,5-c]pyrimidin-5-amine
SMILESCP(C)(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccccc3)c12
InChIInChI=1S/C23H22FN4O2P/c1-31(2,29)22-21-17(15-6-4-3-5-7-15)12-25-23(28(21)14-27-22)26-13-18-16-10-11-30-20(16)9-8-19(18)24/h3-9,12,14H,10-11,13H2,1-2H3,(H,25,26)
InChIKeyXBYMHZZGKHOLLV-UHFFFAOYSA-N
MW436.43 g/mol
LogP4.33
Rot. Bonds5

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

1-dimethylphosphoryl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenylimidazo[1,5-c]pyrimidin-5-amine (PubChem CID 155580049) has the molecular formula C23H22FN4O2P and a molecular weight of 436.43 g/mol. Its IUPAC name is 1-dimethylphosphoryl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenylimidazo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name1-dimethylphosphoryl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenylimidazo[1,5-c]pyrimidin-5-amine
PubChem CID155580049
Molecular FormulaC23H22FN4O2P
Molecular Weight436.43 g/mol
Exact Mass436.15
IUPAC Name1-dimethylphosphoryl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenylimidazo[1,5-c]pyrimidin-5-amine
SMILESCP(C)(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccccc3)c12
InChIInChI=1S/C23H22FN4O2P/c1-31(2,29)22-21-17(15-6-4-3-5-7-15)12-25-23(28(21)14-27-22)26-13-18-16-10-11-30-20(16)9-8-19(18)24/h3-9,12,14H,10-11,13H2,1-2H3,(H,25,26)
InChIKeyXBYMHZZGKHOLLV-UHFFFAOYSA-N
XLogP4.33
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-dimethylphosphoryl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenylimidazo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 1-dimethylphosphoryl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenylimidazo[1,5-c]pyrimidin-5-amine (CID 155580049) is 1-dimethylphosphoryl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenylimidazo[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-phenylimidazo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 1-dimethylphosphoryl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenylimidazo[1,5-c]pyrimidin-5-amine is CP(C)(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccccc3)c12.
What is the InChIKey of 1-dimethylphosphoryl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenylimidazo[1,5-c]pyrimidin-5-amine?
The InChIKey is XBYMHZZGKHOLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN4O2P/c1-31(2,29)22-21-17(15-6-4-3-5-7-15)12-25-23(28(21)14-27-22)26-13-18-16-10-11-30-20(16)9-8-19(18)24/h3-9,12,14H,10-11,13H2,1-2H3,(H,25,26).
What are the key properties of 1-dimethylphosphoryl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenylimidazo[1,5-c]pyrimidin-5-amine?
1-dimethylphosphoryl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-phenylimidazo[1,5-c]pyrimidin-5-amine has a molecular weight of 436.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-phenylimidazo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 155580049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).