2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine

C29H20BrF2N3 — CID 140838914

IUPAC2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine
SMILESCc1cc(C)cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(F)cc(F)n4)cn3)cc2Br)c1
InChIInChI=1S/C29H20BrF2N3/c1-17-11-18(2)13-21(12-17)22-5-3-4-6-23(22)24-9-7-19(14-25(24)30)26-10-8-20(16-33-26)29-34-27(31)15-28(32)35-29/h3-16H,1-2H3
InChIKeyNGBAGKZEKHRETG-UHFFFAOYSA-N
MW528.40 g/mol
LogP8.20
Rot. Bonds4

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

2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine (PubChem CID 140838914) has the molecular formula C29H20BrF2N3 and a molecular weight of 528.40 g/mol. Its IUPAC name is 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine.

Molecular Properties

Compound Name2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine
PubChem CID140838914
Molecular FormulaC29H20BrF2N3
Molecular Weight528.40 g/mol
Exact Mass527.08
IUPAC Name2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine
SMILESCc1cc(C)cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(F)cc(F)n4)cn3)cc2Br)c1
InChIInChI=1S/C29H20BrF2N3/c1-17-11-18(2)13-21(12-17)22-5-3-4-6-23(22)24-9-7-19(14-25(24)30)26-10-8-20(16-33-26)29-34-27(31)15-28(32)35-29/h3-16H,1-2H3
InChIKeyNGBAGKZEKHRETG-UHFFFAOYSA-N
XLogP8.20
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.40
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine 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
1-(2,6-Dimethylpyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine
CID 46206643
5-methyl-2-(2-propan-2-ylphenyl)-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]pyrimidin-4-amine
CID 60167911
5-fluoro-N-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 60167806
2-(2-bromophenyl)-N-[(4-pyridin-3-ylphenyl)methyl]quinazolin-4-amine
CID 60167912
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-(4-Benzylpiperazin-1-yl)-4-(3,4-dimethylphenyl)-6-pyridin-4-ylpyrimidine
CID 44399519
4-(2-Bromophenyl)-6-pyridin-3-ylpyrimidine
CID 162656267
4-Phenyl-2-[3-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine
CID 102598821
7-[(2-Bromo-5-fluorophenyl)methyl]-2,4-diphenylpyrrolo[2,3-d]pyrimidine
CID 134851306

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine?
The IUPAC name of 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine (CID 140838914) is 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine.
What is the SMILES notation for 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine?
The canonical SMILES for 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine is Cc1cc(C)cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(F)cc(F)n4)cn3)cc2Br)c1.
What is the InChIKey of 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine?
The InChIKey is NGBAGKZEKHRETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20BrF2N3/c1-17-11-18(2)13-21(12-17)22-5-3-4-6-23(22)24-9-7-19(14-25(24)30)26-10-8-20(16-33-26)29-34-27(31)15-28(32)35-29/h3-16H,1-2H3.
What are the key properties of 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine?
2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-difluoropyrimidine has a molecular weight of 528.40 g/mol, XLogP of 8.20, 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]-4,6-difluoropyrimidine is sourced from PubChem (CID 140838914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).