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

C23H19F3N6O — CID 11705108

IUPAC(8S)-8-(3-pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESNC1=N[C@@](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)/t22-/m0/s1
InChIKeyFYQZYBSHWLRFKL-QFIPXVFZSA-N
MW452.44 g/mol
LogP3.72
Rot. Bonds4

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

(8S)-8-(3-pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (PubChem CID 11705108) has the molecular formula C23H19F3N6O and a molecular weight of 452.44 g/mol. Its IUPAC name is (8S)-8-(3-pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name(8S)-8-(3-pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
PubChem CID11705108
Molecular FormulaC23H19F3N6O
Molecular Weight452.44 g/mol
Exact Mass452.16
IUPAC Name(8S)-8-(3-pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESNC1=N[C@@](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)/t22-/m0/s1
InChIKeyFYQZYBSHWLRFKL-QFIPXVFZSA-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 (8S)-8-(3-pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The IUPAC name of (8S)-8-(3-pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (CID 11705108) is (8S)-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 (8S)-8-(3-pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for (8S)-8-(3-pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is NC1=N[C@@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cncnc3)c2)C2=NCCCN12.
What is the InChIKey of (8S)-8-(3-pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The InChIKey is FYQZYBSHWLRFKL-QFIPXVFZSA-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)/t22-/m0/s1.
What are the key properties of (8S)-8-(3-pyrimidin-5-ylphenyl)-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
(8S)-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 (8S)-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 11705108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).