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

C24H25FN6O — CID 139346173

IUPAC8-[6-[2-(dimethylamino)ethyl]-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine
SMILESCN(C)CCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cn1
InChIInChI=1S/C24H25FN6O/c1-30(2)9-7-17-4-3-16(11-27-17)19-12-28-24(31-15-26-14-22(19)31)29-13-20-18-8-10-32-23(18)6-5-21(20)25/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,28,29)
InChIKeyMOUJXTHVEKPDLC-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.58
Rot. Bonds7

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

8-[6-[2-(dimethylamino)ethyl]-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine (PubChem CID 139346173) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 8-[6-[2-(dimethylamino)ethyl]-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-[2-(dimethylamino)ethyl]-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine
PubChem CID139346173
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name8-[6-[2-(dimethylamino)ethyl]-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine
SMILESCN(C)CCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cn1
InChIInChI=1S/C24H25FN6O/c1-30(2)9-7-17-4-3-16(11-27-17)19-12-28-24(31-15-26-14-22(19)31)29-13-20-18-8-10-32-23(18)6-5-21(20)25/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,28,29)
InChIKeyMOUJXTHVEKPDLC-UHFFFAOYSA-N
XLogP3.58
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[6-[2-(dimethylamino)ethyl]-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-[2-(dimethylamino)ethyl]-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine (CID 139346173) is 8-[6-[2-(dimethylamino)ethyl]-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-[2-(dimethylamino)ethyl]-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-[2-(dimethylamino)ethyl]-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine is CN(C)CCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cn1.
What is the InChIKey of 8-[6-[2-(dimethylamino)ethyl]-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine?
The InChIKey is MOUJXTHVEKPDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-30(2)9-7-17-4-3-16(11-27-17)19-12-28-24(31-15-26-14-22(19)31)29-13-20-18-8-10-32-23(18)6-5-21(20)25/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H,28,29).
What are the key properties of 8-[6-[2-(dimethylamino)ethyl]-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine?
8-[6-[2-(dimethylamino)ethyl]-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 432.50 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[2-(dimethylamino)ethyl]-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 139346173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).