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

C25H20ClF3N4OS — CID 143594430

IUPAC8-[3-(3-chlorophenyl)phenyl]-8-[3-(trifluoromethylsulfanyloxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESNC1=NC(c2cccc(OSC(F)(F)F)c2)(c2cccc(-c3cccc(Cl)c3)c2)C2=NCCCN12
InChIInChI=1S/C25H20ClF3N4OS/c26-20-9-2-6-17(14-20)16-5-1-7-18(13-16)24(22-31-11-4-12-33(22)23(30)32-24)19-8-3-10-21(15-19)34-35-25(27,28)29/h1-3,5-10,13-15H,4,11-12H2,(H2,30,32)
InChIKeyWBKOSKJWHWKOMU-UHFFFAOYSA-N
MW516.98 g/mol
LogP6.23
Rot. Bonds5

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

8-[3-(3-chlorophenyl)phenyl]-8-[3-(trifluoromethylsulfanyloxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (PubChem CID 143594430) has the molecular formula C25H20ClF3N4OS and a molecular weight of 516.98 g/mol. Its IUPAC name is 8-[3-(3-chlorophenyl)phenyl]-8-[3-(trifluoromethylsulfanyloxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name8-[3-(3-chlorophenyl)phenyl]-8-[3-(trifluoromethylsulfanyloxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
PubChem CID143594430
Molecular FormulaC25H20ClF3N4OS
Molecular Weight516.98 g/mol
Exact Mass516.10
IUPAC Name8-[3-(3-chlorophenyl)phenyl]-8-[3-(trifluoromethylsulfanyloxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESNC1=NC(c2cccc(OSC(F)(F)F)c2)(c2cccc(-c3cccc(Cl)c3)c2)C2=NCCCN12
InChIInChI=1S/C25H20ClF3N4OS/c26-20-9-2-6-17(14-20)16-5-1-7-18(13-16)24(22-31-11-4-12-33(22)23(30)32-24)19-8-3-10-21(15-19)34-35-25(27,28)29/h1-3,5-10,13-15H,4,11-12H2,(H2,30,32)
InChIKeyWBKOSKJWHWKOMU-UHFFFAOYSA-N
XLogP6.23
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.98
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 8-[3-(3-chlorophenyl)phenyl]-8-[3-(trifluoromethylsulfanyloxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8R)-8-[3-(5-chloro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
CID 59837919
[3-[6-amino-8-[3-(5-chloro-2-fluoro-3-pyridinyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] methanesulfonate
CID 24899869
[4-[5-amino-7-[3-(3-chlorophenyl)phenyl]-2,3-dihydroimidazo[1,2-c]imidazol-7-yl]phenyl] propane-2-sulfonate
CID 24897559
(8S)-8-[3-(4-fluoro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
CID 59837908
[3-[6-amino-8-(3-bromophenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] difluoro(phosphanyl)methanesulfinate
CID 143594435
acetic acid;8-pyridin-4-yl-8-[3-[3-(trifluoromethyl)phenyl]phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
CID 24990256
4-[6-amino-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol
CID 71032880
9-[3-(2-fluoro-3-pyridinyl)phenyl]-9-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydroimidazo[1,5-a][1,3]diazepin-7-amine
CID 25184936
[4-[6-amino-8-[3-(3-methoxyphenyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] propane-1-sulfonate
CID 24900118
[3-[6-amino-8-[1-chloro-5-(3-chlorophenyl)cyclohexa-2,4-dien-1-yl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] trifluoromethanesulfonate
CID 87748237
[4-[6-amino-8-[3-(3-chloro-2-fluorophenyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] cyclopropanesulfonate
CID 24896888
(8R)-8-(3-bromophenyl)-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
CID 129386819

Frequently Asked Questions

What is the IUPAC name of 8-[3-(3-chlorophenyl)phenyl]-8-[3-(trifluoromethylsulfanyloxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 8-[3-(3-chlorophenyl)phenyl]-8-[3-(trifluoromethylsulfanyloxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (CID 143594430) is 8-[3-(3-chlorophenyl)phenyl]-8-[3-(trifluoromethylsulfanyloxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 8-[3-(3-chlorophenyl)phenyl]-8-[3-(trifluoromethylsulfanyloxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 8-[3-(3-chlorophenyl)phenyl]-8-[3-(trifluoromethylsulfanyloxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is NC1=NC(c2cccc(OSC(F)(F)F)c2)(c2cccc(-c3cccc(Cl)c3)c2)C2=NCCCN12.
What is the InChIKey of 8-[3-(3-chlorophenyl)phenyl]-8-[3-(trifluoromethylsulfanyloxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The InChIKey is WBKOSKJWHWKOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF3N4OS/c26-20-9-2-6-17(14-20)16-5-1-7-18(13-16)24(22-31-11-4-12-33(22)23(30)32-24)19-8-3-10-21(15-19)34-35-25(27,28)29/h1-3,5-10,13-15H,4,11-12H2,(H2,30,32).
What are the key properties of 8-[3-(3-chlorophenyl)phenyl]-8-[3-(trifluoromethylsulfanyloxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
8-[3-(3-chlorophenyl)phenyl]-8-[3-(trifluoromethylsulfanyloxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine has a molecular weight of 516.98 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(3-chlorophenyl)phenyl]-8-[3-(trifluoromethylsulfanyloxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 143594430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).