8-(3-fluorophenyl)-8-(furan-2-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine

C16H15FN4O — CID 143594462

IUPAC8-(3-fluorophenyl)-8-(furan-2-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESNC1=NC(c2cccc(F)c2)(c2ccco2)C2=NCCCN12
InChIInChI=1S/C16H15FN4O/c17-12-5-1-4-11(10-12)16(13-6-2-9-22-13)14-19-7-3-8-21(14)15(18)20-16/h1-2,4-6,9-10H,3,7-8H2,(H2,18,20)
InChIKeyNSBRAXUADWJJLX-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.09
Rot. Bonds2

About 8-(3-fluorophenyl)-8-(furan-2-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine

8-(3-fluorophenyl)-8-(furan-2-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (PubChem CID 143594462) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 8-(3-fluorophenyl)-8-(furan-2-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name8-(3-fluorophenyl)-8-(furan-2-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
PubChem CID143594462
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name8-(3-fluorophenyl)-8-(furan-2-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESNC1=NC(c2cccc(F)c2)(c2ccco2)C2=NCCCN12
InChIInChI=1S/C16H15FN4O/c17-12-5-1-4-11(10-12)16(13-6-2-9-22-13)14-19-7-3-8-21(14)15(18)20-16/h1-2,4-6,9-10H,3,7-8H2,(H2,18,20)
InChIKeyNSBRAXUADWJJLX-UHFFFAOYSA-N
XLogP2.09
TPSA67.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-fluorophenyl)-8-(furan-2-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 8-(3-fluorophenyl)-8-(furan-2-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (CID 143594462) is 8-(3-fluorophenyl)-8-(furan-2-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 8-(3-fluorophenyl)-8-(furan-2-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 8-(3-fluorophenyl)-8-(furan-2-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is NC1=NC(c2cccc(F)c2)(c2ccco2)C2=NCCCN12.
What is the InChIKey of 8-(3-fluorophenyl)-8-(furan-2-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The InChIKey is NSBRAXUADWJJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c17-12-5-1-4-11(10-12)16(13-6-2-9-22-13)14-19-7-3-8-21(14)15(18)20-16/h1-2,4-6,9-10H,3,7-8H2,(H2,18,20).
What are the key properties of 8-(3-fluorophenyl)-8-(furan-2-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
8-(3-fluorophenyl)-8-(furan-2-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine has a molecular weight of 298.32 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluorophenyl)-8-(furan-2-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 143594462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).