4-methyl-6-(methylsulfonylmethyl)pyrimidine

C7H10N2O2S — CID 126996116

IUPAC4-methyl-6-(methylsulfonylmethyl)pyrimidine
SMILESCc1cc(CS(C)(=O)=O)ncn1
InChIInChI=1S/C7H10N2O2S/c1-6-3-7(9-5-8-6)4-12(2,10)11/h3,5H,4H2,1-2H3
InChIKeyFHORTWMMGWLMTK-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.33
Rot. Bonds2

About 4-methyl-6-(methylsulfonylmethyl)pyrimidine

4-methyl-6-(methylsulfonylmethyl)pyrimidine (PubChem CID 126996116) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 4-methyl-6-(methylsulfonylmethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-6-(methylsulfonylmethyl)pyrimidine
PubChem CID126996116
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name4-methyl-6-(methylsulfonylmethyl)pyrimidine
SMILESCc1cc(CS(C)(=O)=O)ncn1
InChIInChI=1S/C7H10N2O2S/c1-6-3-7(9-5-8-6)4-12(2,10)11/h3,5H,4H2,1-2H3
InChIKeyFHORTWMMGWLMTK-UHFFFAOYSA-N
XLogP0.33
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(methylsulfonylmethyl)pyrimidine?
The IUPAC name of 4-methyl-6-(methylsulfonylmethyl)pyrimidine (CID 126996116) is 4-methyl-6-(methylsulfonylmethyl)pyrimidine.
What is the SMILES notation for 4-methyl-6-(methylsulfonylmethyl)pyrimidine?
The canonical SMILES for 4-methyl-6-(methylsulfonylmethyl)pyrimidine is Cc1cc(CS(C)(=O)=O)ncn1.
What is the InChIKey of 4-methyl-6-(methylsulfonylmethyl)pyrimidine?
The InChIKey is FHORTWMMGWLMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-6-3-7(9-5-8-6)4-12(2,10)11/h3,5H,4H2,1-2H3.
What are the key properties of 4-methyl-6-(methylsulfonylmethyl)pyrimidine?
4-methyl-6-(methylsulfonylmethyl)pyrimidine has a molecular weight of 186.24 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(methylsulfonylmethyl)pyrimidine is sourced from PubChem (CID 126996116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).