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

C24H23N5O — CID 139346257

IUPACN-(1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,5-c]pyrimidin-5-amine
SMILESCN(C)Cc1ccc(-c2cnc(NCc3cccc4occc34)n3cncc23)cc1
InChIInChI=1S/C24H23N5O/c1-28(2)15-17-6-8-18(9-7-17)21-13-27-24(29-16-25-14-22(21)29)26-12-19-4-3-5-23-20(19)10-11-30-23/h3-11,13-14,16H,12,15H2,1-2H3,(H,26,27)
InChIKeyGHWBERCUHJFHPC-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.82
Rot. Bonds6

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

N-(1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,5-c]pyrimidin-5-amine (PubChem CID 139346257) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,5-c]pyrimidin-5-amine
PubChem CID139346257
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-(1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,5-c]pyrimidin-5-amine
SMILESCN(C)Cc1ccc(-c2cnc(NCc3cccc4occc34)n3cncc23)cc1
InChIInChI=1S/C24H23N5O/c1-28(2)15-17-6-8-18(9-7-17)21-13-27-24(29-16-25-14-22(21)29)26-12-19-4-3-5-23-20(19)10-11-30-23/h3-11,13-14,16H,12,15H2,1-2H3,(H,26,27)
InChIKeyGHWBERCUHJFHPC-UHFFFAOYSA-N
XLogP4.82
TPSA58.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,5-c]pyrimidin-5-amine?
The IUPAC name of N-(1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,5-c]pyrimidin-5-amine (CID 139346257) is N-(1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for N-(1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for N-(1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,5-c]pyrimidin-5-amine is CN(C)Cc1ccc(-c2cnc(NCc3cccc4occc34)n3cncc23)cc1.
What is the InChIKey of N-(1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,5-c]pyrimidin-5-amine?
The InChIKey is GHWBERCUHJFHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-28(2)15-17-6-8-18(9-7-17)21-13-27-24(29-16-25-14-22(21)29)26-12-19-4-3-5-23-20(19)10-11-30-23/h3-11,13-14,16H,12,15H2,1-2H3,(H,26,27).
What are the key properties of N-(1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,5-c]pyrimidin-5-amine?
N-(1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,5-c]pyrimidin-5-amine has a molecular weight of 397.48 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 139346257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).