8-(3-pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine

C23H19F3N6O — CID 11510740

IUPAC8-(3-pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESNC1=NC(c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cncnc3)c2)C2=NCCCN12
InChIInChI=1S/C23H19F3N6O/c24-23(25,26)33-19-7-5-17(6-8-19)22(20-30-9-2-10-32(20)21(27)31-22)18-4-1-3-15(11-18)16-12-28-14-29-13-16/h1,3-8,11-14H,2,9-10H2,(H2,27,31)
InChIKeyFYQZYBSHWLRFKL-UHFFFAOYSA-N
MW452.44 g/mol
LogP3.72
Rot. Bonds4

About 8-(3-pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine

8-(3-pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (PubChem CID 11510740) has the molecular formula C23H19F3N6O and a molecular weight of 452.44 g/mol. Its IUPAC name is 8-(3-pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name8-(3-pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
PubChem CID11510740
Molecular FormulaC23H19F3N6O
Molecular Weight452.44 g/mol
Exact Mass452.16
IUPAC Name8-(3-pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESNC1=NC(c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cncnc3)c2)C2=NCCCN12
InChIInChI=1S/C23H19F3N6O/c24-23(25,26)33-19-7-5-17(6-8-19)22(20-30-9-2-10-32(20)21(27)31-22)18-4-1-3-15(11-18)16-12-28-14-29-13-16/h1,3-8,11-14H,2,9-10H2,(H2,27,31)
InChIKeyFYQZYBSHWLRFKL-UHFFFAOYSA-N
XLogP3.72
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(3-pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 8-(3-pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (CID 11510740) is 8-(3-pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 8-(3-pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 8-(3-pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is NC1=NC(c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cncnc3)c2)C2=NCCCN12.
What is the InChIKey of 8-(3-pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The InChIKey is FYQZYBSHWLRFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O/c24-23(25,26)33-19-7-5-17(6-8-19)22(20-30-9-2-10-32(20)21(27)31-22)18-4-1-3-15(11-18)16-12-28-14-29-13-16/h1,3-8,11-14H,2,9-10H2,(H2,27,31).
What are the key properties of 8-(3-pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
8-(3-pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine has a molecular weight of 452.44 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 11510740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).