5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine

C21H19F3N2 — CID 101484200

IUPAC5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCC(C)(C)c1ccc(-c2cnc(-c3cccc(C(F)(F)F)c3)nc2)cc1
InChIInChI=1S/C21H19F3N2/c1-20(2,3)17-9-7-14(8-10-17)16-12-25-19(26-13-16)15-5-4-6-18(11-15)21(22,23)24/h4-13H,1-3H3
InChIKeyHCZOKLNYQOOIFE-UHFFFAOYSA-N
MW356.39 g/mol
LogP6.13
Rot. Bonds2

About 5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine

5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 101484200) has the molecular formula C21H19F3N2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine
PubChem CID101484200
Molecular FormulaC21H19F3N2
Molecular Weight356.39 g/mol
Exact Mass356.15
IUPAC Name5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESCC(C)(C)c1ccc(-c2cnc(-c3cccc(C(F)(F)F)c3)nc2)cc1
InChIInChI=1S/C21H19F3N2/c1-20(2,3)17-9-7-14(8-10-17)16-12-25-19(26-13-16)15-5-4-6-18(11-15)21(22,23)24/h4-13H,1-3H3
InChIKeyHCZOKLNYQOOIFE-UHFFFAOYSA-N
XLogP6.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.39
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine 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

5-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 162568225
5-(4-tert-butylphenyl)-2-(4-fluorophenyl)pyrimidine
CID 101484197
1-tert-butyl-3-(4-tert-butylphenyl)benzene
CID 12682933
2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine
CID 58432818
N-[[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]ethanamine
CID 62757672
3,4-bis(4-tert-butylphenyl)-2,5-bis[3-(trifluoromethyl)phenyl]furan
CID 50993914
ethyl 2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate
CID 150465192
4-[3-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]-N,N-bis(4-tert-butylphenyl)aniline
CID 155784369
1,3-bis(4-tert-butylphenyl)-5-(trifluoromethyl)benzene
CID 91806032
1-tert-butyl-3-[4-(1,1-difluoroethyl)phenyl]benzene;2-tert-butyl-5-[4-(1,1-difluoroethyl)phenyl]-1,3-dimethylbenzene;5-(4-tert-butylphenyl)-2-methoxypyrimidine;2-(4-tert-butylphenyl)-5-methylpyrimidine
CID 157375839
2-[3-[4-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine
CID 175345267
5-tert-butyl-2-[4-(4-tert-butylphenyl)phenyl]pyrimidine;ethane
CID 160558757

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine (CID 101484200) is 5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine is CC(C)(C)c1ccc(-c2cnc(-c3cccc(C(F)(F)F)c3)nc2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is HCZOKLNYQOOIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2/c1-20(2,3)17-9-7-14(8-10-17)16-12-25-19(26-13-16)15-5-4-6-18(11-15)21(22,23)24/h4-13H,1-3H3.
What are the key properties of 5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine?
5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 356.39 g/mol, XLogP of 6.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 101484200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).