2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-6-phenylpyrimidine

C24H19FN2S — CID 162640165

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-6-phenylpyrimidine
SMILESCc1ccc(-c2cc(-c3ccccc3)nc(SCc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C24H19FN2S/c1-17-7-11-20(12-8-17)23-15-22(19-5-3-2-4-6-19)26-24(27-23)28-16-18-9-13-21(25)14-10-18/h2-15H,16H2,1H3
InChIKeyAIRWPUAHSHDEIH-UHFFFAOYSA-N
MW386.50 g/mol
LogP6.55
Rot. Bonds5

About 2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-6-phenylpyrimidine

2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-6-phenylpyrimidine (PubChem CID 162640165) has the molecular formula C24H19FN2S and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-6-phenylpyrimidine
PubChem CID162640165
Molecular FormulaC24H19FN2S
Molecular Weight386.50 g/mol
Exact Mass386.13
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-6-phenylpyrimidine
SMILESCc1ccc(-c2cc(-c3ccccc3)nc(SCc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C24H19FN2S/c1-17-7-11-20(12-8-17)23-15-22(19-5-3-2-4-6-19)26-24(27-23)28-16-18-9-13-21(25)14-10-18/h2-15H,16H2,1H3
InChIKeyAIRWPUAHSHDEIH-UHFFFAOYSA-N
XLogP6.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyrimidine
CID 155560581
2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine
CID 27042561
2-benzylsulfanyl-4-chloro-6-phenylpyrimidine
CID 16642955
2-benzylsulfanyl-4-(2-methylphenoxy)-6-phenylpyrimidine
CID 46033135
4-benzylsulfanyl-2-chloro-6-(4-fluorophenyl)pyrimidine
CID 146491031
3-[(4-fluorophenyl)methylsulfanyl]-5,6-diphenyl-1,2,4-triazine
CID 6406872
2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 3329563
6-(4-fluorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 4096555
4-(4-bromophenyl)-2-[(2-bromophenyl)methylsulfanyl]-6-(4-methylphenyl)pyrimidine
CID 155544268
3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyridazine
CID 7205692
2-benzylsulfanyl-4-phenoxy-6-phenylpyrimidine
CID 42845948
2-[(3-chlorophenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine
CID 3668980

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-6-phenylpyrimidine?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-6-phenylpyrimidine (CID 162640165) is 2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-6-phenylpyrimidine.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-6-phenylpyrimidine?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-6-phenylpyrimidine is Cc1ccc(-c2cc(-c3ccccc3)nc(SCc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-6-phenylpyrimidine?
The InChIKey is AIRWPUAHSHDEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2S/c1-17-7-11-20(12-8-17)23-15-22(19-5-3-2-4-6-19)26-24(27-23)28-16-18-9-13-21(25)14-10-18/h2-15H,16H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-6-phenylpyrimidine?
2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-6-phenylpyrimidine has a molecular weight of 386.50 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-6-phenylpyrimidine is sourced from PubChem (CID 162640165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).