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

C22H21FN6O — CID 139346199

IUPAC8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine
SMILESCN(C)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cn1
InChIInChI=1S/C22H21FN6O/c1-28(2)21-6-3-14(9-25-21)16-10-26-22(29-13-24-12-19(16)29)27-11-17-15-7-8-30-20(15)5-4-18(17)23/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,26,27)
InChIKeyNYVIHODWEAKYML-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.54
Rot. Bonds5

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

8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine (PubChem CID 139346199) has the molecular formula C22H21FN6O and a molecular weight of 404.45 g/mol. Its IUPAC name is 8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine
PubChem CID139346199
Molecular FormulaC22H21FN6O
Molecular Weight404.45 g/mol
Exact Mass404.18
IUPAC Name8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine
SMILESCN(C)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cn1
InChIInChI=1S/C22H21FN6O/c1-28(2)21-6-3-14(9-25-21)16-10-26-22(29-13-24-12-19(16)29)27-11-17-15-7-8-30-20(15)5-4-18(17)23/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,26,27)
InChIKeyNYVIHODWEAKYML-UHFFFAOYSA-N
XLogP3.54
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine (CID 139346199) is 8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine is CN(C)c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cn1.
What is the InChIKey of 8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine?
The InChIKey is NYVIHODWEAKYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O/c1-28(2)21-6-3-14(9-25-21)16-10-26-22(29-13-24-12-19(16)29)27-11-17-15-7-8-30-20(15)5-4-18(17)23/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,26,27).
What are the key properties of 8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine?
8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine has a molecular weight of 404.45 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(dimethylamino)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 139346199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).