2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine

C31H23BrF3N3 — CID 140838697

IUPAC2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C)cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(C)cc(C(F)(F)F)n4)cn3)cc2Br)c1
InChIInChI=1S/C31H23BrF3N3/c1-18-12-19(2)14-23(13-18)24-6-4-5-7-25(24)26-10-8-21(16-27(26)32)28-11-9-22(17-36-28)30-37-20(3)15-29(38-30)31(33,34)35/h4-17H,1-3H3
InChIKeyZGYOYWMNVMCLCB-UHFFFAOYSA-N
MW574.44 g/mol
LogP9.25
Rot. Bonds4

About 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine

2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine (PubChem CID 140838697) has the molecular formula C31H23BrF3N3 and a molecular weight of 574.44 g/mol. Its IUPAC name is 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine
PubChem CID140838697
Molecular FormulaC31H23BrF3N3
Molecular Weight574.44 g/mol
Exact Mass573.10
IUPAC Name2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C)cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(C)cc(C(F)(F)F)n4)cn3)cc2Br)c1
InChIInChI=1S/C31H23BrF3N3/c1-18-12-19(2)14-23(13-18)24-6-4-5-7-25(24)26-10-8-21(16-27(26)32)28-11-9-22(17-36-28)30-37-20(3)15-29(38-30)31(33,34)35/h4-17H,1-3H3
InChIKeyZGYOYWMNVMCLCB-UHFFFAOYSA-N
XLogP9.25
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.44
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)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

Azd-3839
CID 46202416
1-(2-(Difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine
CID 46202415
5-methyl-2-(2-propan-2-ylphenyl)-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]pyrimidin-4-amine
CID 60167911
2-(2-bromophenyl)-N-[(4-pyridin-3-ylphenyl)methyl]quinazolin-4-amine
CID 60167912
3-(3-Pyrimidin-5-ylphenyl)-3-[2-(trifluoromethyl)-4-pyridinyl]isoindol-1-amine
CID 71449972
4-(3-Bromophenyl)-6-pyridin-3-ylpyrimidine
CID 162644727
N,5-dimethyl-N-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 60167889
2-(2-propan-2-ylphenyl)-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]pyrimidin-4-amine
CID 60167923
N-[2-(2-bromophenyl)ethyl]-2-propan-2-yl-7-[3-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 58972563
5-(2-bromo-4-(trifluoromethyl)phenyl)-N-(pyrimidin-4-yl)-3,4-dihydroisoquinoline-2(1H)-sulfonamide
CID 71737226
2-(4-Benzylpiperazin-1-yl)-4-(3,4-dimethylphenyl)-6-pyridin-4-ylpyrimidine
CID 44399519
4-(2-Bromophenyl)-6-pyridin-3-ylpyrimidine
CID 162656267

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine (CID 140838697) is 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine is Cc1cc(C)cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(C)cc(C(F)(F)F)n4)cn3)cc2Br)c1.
What is the InChIKey of 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is ZGYOYWMNVMCLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23BrF3N3/c1-18-12-19(2)14-23(13-18)24-6-4-5-7-25(24)26-10-8-21(16-27(26)32)28-11-9-22(17-36-28)30-37-20(3)15-29(38-30)31(33,34)35/h4-17H,1-3H3.
What are the key properties of 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine?
2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 574.44 g/mol, XLogP of 9.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4-methyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 140838697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).