4,6-dimethyl-2-methylsulfonylpyrimidine

C7H10N2O2S — CID 2772382

IUPAC4,6-dimethyl-2-methylsulfonylpyrimidine
SMILESCc1cc(C)nc(S(C)(=O)=O)n1
InChIInChI=1S/C7H10N2O2S/c1-5-4-6(2)9-7(8-5)12(3,10)11/h4H,1-3H3
InChIKeyZHPSNGCLCHWTRG-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.50
Rot. Bonds1

About 4,6-dimethyl-2-methylsulfonylpyrimidine

4,6-dimethyl-2-methylsulfonylpyrimidine (PubChem CID 2772382) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 4,6-dimethyl-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-methylsulfonylpyrimidine
PubChem CID2772382
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name4,6-dimethyl-2-methylsulfonylpyrimidine
SMILESCc1cc(C)nc(S(C)(=O)=O)n1
InChIInChI=1S/C7H10N2O2S/c1-5-4-6(2)9-7(8-5)12(3,10)11/h4H,1-3H3
InChIKeyZHPSNGCLCHWTRG-UHFFFAOYSA-N
XLogP0.50
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,6-dimethyl-2-methylsulfonylpyrimidine 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

4,6-Dimethyl-2-(methylsulfanyl)pyrimidine
CID 12343174
2-({[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}sulfanyl)-4,6-dimethylpyrimidine
CID 802777
4-Chloro-2-methanesulfonyl-6-methylpyrimidine
CID 12397672
4,6-Dimethylpyrimidine-2-sulfonamide
CID 22244676
2-(4,6-Dimethylpyrimidin-2-yl)sulfanylethanol
CID 587836
2-(2-Ethanesulfonyl-ethylsulfanyl)-4,6-dimethyl-pyrimidine
CID 656348
O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate
CID 148428
4-Methyl-2-(methylthio)-6-(trifluoromethyl)pyrimidine
CID 10375758
4,6-Dimethylpyrimidine-2-sulfonyl fluoride
CID 14404718
2-Methoxy-4,6-dimethylpyrimidine
CID 11428264
4,6-Dimethylpyrimidin-2-yl thiocyanate
CID 3043121
2-Mercapto-4,6-dimethylpyrimidine-sodiumsalt
CID 23669009

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-methylsulfonylpyrimidine?
The IUPAC name of 4,6-dimethyl-2-methylsulfonylpyrimidine (CID 2772382) is 4,6-dimethyl-2-methylsulfonylpyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-methylsulfonylpyrimidine?
The canonical SMILES for 4,6-dimethyl-2-methylsulfonylpyrimidine is Cc1cc(C)nc(S(C)(=O)=O)n1.
What is the InChIKey of 4,6-dimethyl-2-methylsulfonylpyrimidine?
The InChIKey is ZHPSNGCLCHWTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-5-4-6(2)9-7(8-5)12(3,10)11/h4H,1-3H3.
What are the key properties of 4,6-dimethyl-2-methylsulfonylpyrimidine?
4,6-dimethyl-2-methylsulfonylpyrimidine has a molecular weight of 186.24 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-methylsulfonylpyrimidine is sourced from PubChem (CID 2772382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).