4-methyl-2-methylsulfonyl-6-phenylpyrimidine

C12H12N2O2S — CID 3666981

IUPAC4-methyl-2-methylsulfonyl-6-phenylpyrimidine
SMILESCc1cc(-c2ccccc2)nc(S(C)(=O)=O)n1
InChIInChI=1S/C12H12N2O2S/c1-9-8-11(10-6-4-3-5-7-10)14-12(13-9)17(2,15)16/h3-8H,1-2H3
InChIKeyXCUSWLFCHWZTEX-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.86
Rot. Bonds2

About 4-methyl-2-methylsulfonyl-6-phenylpyrimidine

4-methyl-2-methylsulfonyl-6-phenylpyrimidine (PubChem CID 3666981) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-methyl-2-methylsulfonyl-6-phenylpyrimidine.

Molecular Properties

Compound Name4-methyl-2-methylsulfonyl-6-phenylpyrimidine
PubChem CID3666981
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name4-methyl-2-methylsulfonyl-6-phenylpyrimidine
SMILESCc1cc(-c2ccccc2)nc(S(C)(=O)=O)n1
InChIInChI=1S/C12H12N2O2S/c1-9-8-11(10-6-4-3-5-7-10)14-12(13-9)17(2,15)16/h3-8H,1-2H3
InChIKeyXCUSWLFCHWZTEX-UHFFFAOYSA-N
XLogP1.86
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfonyl-6-phenylpyrimidine?
The IUPAC name of 4-methyl-2-methylsulfonyl-6-phenylpyrimidine (CID 3666981) is 4-methyl-2-methylsulfonyl-6-phenylpyrimidine.
What is the SMILES notation for 4-methyl-2-methylsulfonyl-6-phenylpyrimidine?
The canonical SMILES for 4-methyl-2-methylsulfonyl-6-phenylpyrimidine is Cc1cc(-c2ccccc2)nc(S(C)(=O)=O)n1.
What is the InChIKey of 4-methyl-2-methylsulfonyl-6-phenylpyrimidine?
The InChIKey is XCUSWLFCHWZTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-9-8-11(10-6-4-3-5-7-10)14-12(13-9)17(2,15)16/h3-8H,1-2H3.
What are the key properties of 4-methyl-2-methylsulfonyl-6-phenylpyrimidine?
4-methyl-2-methylsulfonyl-6-phenylpyrimidine has a molecular weight of 248.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfonyl-6-phenylpyrimidine is sourced from PubChem (CID 3666981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).