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

C19H17FN6O — CID 139346184

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylimidazol-1-yl)imidazo[1,5-c]pyrimidin-5-amine
SMILESCc1cn(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cn1
InChIInChI=1S/C19H17FN6O/c1-12-9-25(11-24-12)16-8-23-19(26-10-21-7-17(16)26)22-6-14-13-4-5-27-18(13)3-2-15(14)20/h2-3,7-11H,4-6H2,1H3,(H,22,23)
InChIKeyNOTLWQUGYNQKIM-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.91
Rot. Bonds4

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

N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylimidazol-1-yl)imidazo[1,5-c]pyrimidin-5-amine (PubChem CID 139346184) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylimidazol-1-yl)imidazo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylimidazol-1-yl)imidazo[1,5-c]pyrimidin-5-amine
PubChem CID139346184
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylimidazol-1-yl)imidazo[1,5-c]pyrimidin-5-amine
SMILESCc1cn(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cn1
InChIInChI=1S/C19H17FN6O/c1-12-9-25(11-24-12)16-8-23-19(26-10-21-7-17(16)26)22-6-14-13-4-5-27-18(13)3-2-15(14)20/h2-3,7-11H,4-6H2,1H3,(H,22,23)
InChIKeyNOTLWQUGYNQKIM-UHFFFAOYSA-N
XLogP2.91
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylimidazol-1-yl)imidazo[1,5-c]pyrimidin-5-amine?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylimidazol-1-yl)imidazo[1,5-c]pyrimidin-5-amine (CID 139346184) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylimidazol-1-yl)imidazo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylimidazol-1-yl)imidazo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylimidazol-1-yl)imidazo[1,5-c]pyrimidin-5-amine is Cc1cn(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cncc23)cn1.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylimidazol-1-yl)imidazo[1,5-c]pyrimidin-5-amine?
The InChIKey is NOTLWQUGYNQKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c1-12-9-25(11-24-12)16-8-23-19(26-10-21-7-17(16)26)22-6-14-13-4-5-27-18(13)3-2-15(14)20/h2-3,7-11H,4-6H2,1H3,(H,22,23).
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylimidazol-1-yl)imidazo[1,5-c]pyrimidin-5-amine?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylimidazol-1-yl)imidazo[1,5-c]pyrimidin-5-amine has a molecular weight of 364.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-methylimidazol-1-yl)imidazo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 139346184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).