4-methyl-6-(4-methylsulfonylphenyl)-2-phenylpyrimidine

C18H16N2O2S — CID 138967547

IUPAC4-methyl-6-(4-methylsulfonylphenyl)-2-phenylpyrimidine
SMILESCc1cc(-c2ccc(S(C)(=O)=O)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H16N2O2S/c1-13-12-17(14-8-10-16(11-9-14)23(2,21)22)20-18(19-13)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyGZAIFJWPTGXZCC-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.52
Rot. Bonds3

About 4-methyl-6-(4-methylsulfonylphenyl)-2-phenylpyrimidine

4-methyl-6-(4-methylsulfonylphenyl)-2-phenylpyrimidine (PubChem CID 138967547) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-methyl-6-(4-methylsulfonylphenyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-methyl-6-(4-methylsulfonylphenyl)-2-phenylpyrimidine
PubChem CID138967547
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name4-methyl-6-(4-methylsulfonylphenyl)-2-phenylpyrimidine
SMILESCc1cc(-c2ccc(S(C)(=O)=O)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H16N2O2S/c1-13-12-17(14-8-10-16(11-9-14)23(2,21)22)20-18(19-13)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyGZAIFJWPTGXZCC-UHFFFAOYSA-N
XLogP3.52
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 130261229
copper;bis(4-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)-6-phenylpyrimidine)
CID 140777635
2-methyl-4,6-bis(4-methylphenyl)-1,3,5-triazine;4-methyl-2,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157118867
4-methyl-6-(4-phenoxyphenyl)-2-phenylpyrimidine
CID 138967549
2-[4-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4,6-dimethylpyrimidine
CID 129292621
4-methyl-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 121360265
4,6-dimethyl-2-phenylpyrimidine;methane
CID 159318650
(6-methyl-2-phenylpyrimidin-4-yl) 4-methylbenzenesulfonate
CID 132606617
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
4-methyl-2-phenyl-6-(5-phenyl-2-pyridinyl)pyrimidine
CID 146568405
3-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]benzoic acid
CID 121285161
N-[2-(dimethylamino)ethyl]-N-methyl-4-(6-methyl-2-phenylpyrimidin-4-yl)benzamide
CID 122565761

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-methylsulfonylphenyl)-2-phenylpyrimidine?
The IUPAC name of 4-methyl-6-(4-methylsulfonylphenyl)-2-phenylpyrimidine (CID 138967547) is 4-methyl-6-(4-methylsulfonylphenyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-methyl-6-(4-methylsulfonylphenyl)-2-phenylpyrimidine?
The canonical SMILES for 4-methyl-6-(4-methylsulfonylphenyl)-2-phenylpyrimidine is Cc1cc(-c2ccc(S(C)(=O)=O)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-methyl-6-(4-methylsulfonylphenyl)-2-phenylpyrimidine?
The InChIKey is GZAIFJWPTGXZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-13-12-17(14-8-10-16(11-9-14)23(2,21)22)20-18(19-13)15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of 4-methyl-6-(4-methylsulfonylphenyl)-2-phenylpyrimidine?
4-methyl-6-(4-methylsulfonylphenyl)-2-phenylpyrimidine has a molecular weight of 324.41 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-methylsulfonylphenyl)-2-phenylpyrimidine is sourced from PubChem (CID 138967547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).