2-(benzenesulfonyl)-4,6-dimethylpyrimidine

C12H12N2O2S — CID 3769775

IUPAC2-(benzenesulfonyl)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C12H12N2O2S/c1-9-8-10(2)14-12(13-9)17(15,16)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyIFTCDVWETRBXGT-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.93
Rot. Bonds2

About 2-(benzenesulfonyl)-4,6-dimethylpyrimidine

2-(benzenesulfonyl)-4,6-dimethylpyrimidine (PubChem CID 3769775) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-4,6-dimethylpyrimidine
PubChem CID3769775
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-(benzenesulfonyl)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C12H12N2O2S/c1-9-8-10(2)14-12(13-9)17(15,16)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyIFTCDVWETRBXGT-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Sulfamethazine
CID 5327
Sulfamethazine Sodium
CID 13456556
4-[(4,6-Dimethylpyrimidin-2-Yl)thio]-2,3,5,6-Tetrafluorobenzenesulfonamide
CID 71299336
Pyrimidine, 2-(ethylsulfonyl)-4-(2-thienyl)-6-(trifluoromethyl)-
CID 17024838
4,6-Dimethyl-2-(phenylthio)pyrimidine
CID 723503
4-Methyl-6-(Toluene-4-Sulfonyl)-Pyrimidin-2-Ylamine
CID 2766290
N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]benzenesulfonamide
CID 4334677
4-Methyl-2-methylsulfonyl-6-thiophen-2-ylpyrimidine
CID 97755228
Desaminosulfamethazine
CID 188299
4-((4,6-Dimethylpyrimidin-2-yl)thio)aniline
CID 2737477
acs.jmedchem.1c00409_ST.286
CID 145962625
N-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 647569

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-4,6-dimethylpyrimidine?
The IUPAC name of 2-(benzenesulfonyl)-4,6-dimethylpyrimidine (CID 3769775) is 2-(benzenesulfonyl)-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-(benzenesulfonyl)-4,6-dimethylpyrimidine?
The canonical SMILES for 2-(benzenesulfonyl)-4,6-dimethylpyrimidine is Cc1cc(C)nc(S(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 2-(benzenesulfonyl)-4,6-dimethylpyrimidine?
The InChIKey is IFTCDVWETRBXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-9-8-10(2)14-12(13-9)17(15,16)11-6-4-3-5-7-11/h3-8H,1-2H3.
What are the key properties of 2-(benzenesulfonyl)-4,6-dimethylpyrimidine?
2-(benzenesulfonyl)-4,6-dimethylpyrimidine has a molecular weight of 248.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-4,6-dimethylpyrimidine is sourced from PubChem (CID 3769775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).