8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine

C24H22FN5O — CID 139346297

IUPAC8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine
SMILESCN(C)Cc1ccc(-c2cnc(NCc3c(F)ccc4occc34)n3cncc23)cc1
InChIInChI=1S/C24H22FN5O/c1-29(2)14-16-3-5-17(6-4-16)19-11-27-24(30-15-26-13-22(19)30)28-12-20-18-9-10-31-23(18)8-7-21(20)25/h3-11,13,15H,12,14H2,1-2H3,(H,27,28)
InChIKeyWAOBTVNWIQCCDO-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.96
Rot. Bonds6

About 8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine

8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine (PubChem CID 139346297) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine
PubChem CID139346297
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine
SMILESCN(C)Cc1ccc(-c2cnc(NCc3c(F)ccc4occc34)n3cncc23)cc1
InChIInChI=1S/C24H22FN5O/c1-29(2)14-16-3-5-17(6-4-16)19-11-27-24(30-15-26-13-22(19)30)28-12-20-18-9-10-31-23(18)8-7-21(20)25/h3-11,13,15H,12,14H2,1-2H3,(H,27,28)
InChIKeyWAOBTVNWIQCCDO-UHFFFAOYSA-N
XLogP4.96
TPSA58.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine (CID 139346297) is 8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine is CN(C)Cc1ccc(-c2cnc(NCc3c(F)ccc4occc34)n3cncc23)cc1.
What is the InChIKey of 8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine?
The InChIKey is WAOBTVNWIQCCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c1-29(2)14-16-3-5-17(6-4-16)19-11-27-24(30-15-26-13-22(19)30)28-12-20-18-9-10-31-23(18)8-7-21(20)25/h3-11,13,15H,12,14H2,1-2H3,(H,27,28).
What are the key properties of 8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine?
8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine has a molecular weight of 415.47 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 139346297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).