4-(3-bromophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyrimidine

C24H18BrFN2S — CID 155560581

IUPAC4-(3-bromophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyrimidine
SMILESCc1ccc(-c2cc(-c3cccc(Br)c3)nc(SCc3cccc(F)c3)n2)cc1
InChIInChI=1S/C24H18BrFN2S/c1-16-8-10-18(11-9-16)22-14-23(19-5-3-6-20(25)13-19)28-24(27-22)29-15-17-4-2-7-21(26)12-17/h2-14H,15H2,1H3
InChIKeyCSQOGJZLVJEOEO-UHFFFAOYSA-N
MW465.39 g/mol
LogP7.31
Rot. Bonds5

About 4-(3-bromophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyrimidine

4-(3-bromophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyrimidine (PubChem CID 155560581) has the molecular formula C24H18BrFN2S and a molecular weight of 465.39 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyrimidine
PubChem CID155560581
Molecular FormulaC24H18BrFN2S
Molecular Weight465.39 g/mol
Exact Mass464.04
IUPAC Name4-(3-bromophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyrimidine
SMILESCc1ccc(-c2cc(-c3cccc(Br)c3)nc(SCc3cccc(F)c3)n2)cc1
InChIInChI=1S/C24H18BrFN2S/c1-16-8-10-18(11-9-16)22-14-23(19-5-3-6-20(25)13-19)28-24(27-22)29-15-17-4-2-7-21(26)12-17/h2-14H,15H2,1H3
InChIKeyCSQOGJZLVJEOEO-UHFFFAOYSA-N
XLogP7.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.39
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-bromophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)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

2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-6-phenylpyrimidine
CID 162640165
6-[(3-bromophenyl)methylsulfanyl]-2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 21371631
4-(4-bromophenyl)-2-[(2-bromophenyl)methylsulfanyl]-6-(4-methylphenyl)pyrimidine
CID 155544268
3-[[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid
CID 126389385
2-[(3-chlorophenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine
CID 3668980
4-(3-bromophenyl)-2-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 79832250
2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine
CID 154704995
4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane
CID 142385026
3-[(3-bromophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole
CID 7906411
2-[(3-bromophenyl)methylsulfanyl]-4,6-dimethylpyridine
CID 102925539
N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338
3-[(3-bromophenyl)methylsulfanyl]-5-[(E)-2-(4-fluorophenyl)ethenyl]-1H-1,2,4-triazole
CID 16620207

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyrimidine?
The IUPAC name of 4-(3-bromophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyrimidine (CID 155560581) is 4-(3-bromophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyrimidine.
What is the SMILES notation for 4-(3-bromophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyrimidine?
The canonical SMILES for 4-(3-bromophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyrimidine is Cc1ccc(-c2cc(-c3cccc(Br)c3)nc(SCc3cccc(F)c3)n2)cc1.
What is the InChIKey of 4-(3-bromophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyrimidine?
The InChIKey is CSQOGJZLVJEOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrFN2S/c1-16-8-10-18(11-9-16)22-14-23(19-5-3-6-20(25)13-19)28-24(27-22)29-15-17-4-2-7-21(26)12-17/h2-14H,15H2,1H3.
What are the key properties of 4-(3-bromophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyrimidine?
4-(3-bromophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyrimidine has a molecular weight of 465.39 g/mol, XLogP of 7.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyrimidine is sourced from PubChem (CID 155560581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).