ethane;5-methyl-2-methylsulfonylpyrimidine

C10H20N2O2S — CID 176693860

IUPACethane;5-methyl-2-methylsulfonylpyrimidine
SMILESCC.CC.Cc1cnc(S(C)(=O)=O)nc1
InChIInChI=1S/C6H8N2O2S.2C2H6/c1-5-3-7-6(8-4-5)11(2,9)10;2*1-2/h3-4H,1-2H3;2*1-2H3
InChIKeyAWHHXQCUPABZMW-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.24
Rot. Bonds1

About ethane;5-methyl-2-methylsulfonylpyrimidine

ethane;5-methyl-2-methylsulfonylpyrimidine (PubChem CID 176693860) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is ethane;5-methyl-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Nameethane;5-methyl-2-methylsulfonylpyrimidine
PubChem CID176693860
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Nameethane;5-methyl-2-methylsulfonylpyrimidine
SMILESCC.CC.Cc1cnc(S(C)(=O)=O)nc1
InChIInChI=1S/C6H8N2O2S.2C2H6/c1-5-3-7-6(8-4-5)11(2,9)10;2*1-2/h3-4H,1-2H3;2*1-2H3
InChIKeyAWHHXQCUPABZMW-UHFFFAOYSA-N
XLogP2.24
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonylpyrimidine-5-thiol
CID 75480815
5-ethenyl-2-methylsulfonylpyrimidine
CID 119084630
trifluoro-(2-methylsulfonylpyrimidin-5-yl)boranuide
CID 71464092
2-methylsulfonylpyrimidine-5-sulfinate
CID 19437474
N-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methanesulfonamide
CID 118640013
(4-methyl-2-methylsulfonylpyrimidin-5-yl)methanol
CID 84721428
5-methyl-2-[(2,4,6-trimethylphenyl)methylsulfonyl]pyrimidine
CID 154739268
6-methyl-2-methylsulfonylimidazo[2,1-f][1,2,4]triazine
CID 96613245
5-methyl-2-methylsulfonylpyrimidine-4-carboxamide
CID 147689446
N-[(1R,5S)-3-(5-methylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfonamide
CID 98778833
2-(1,1-difluoroethyl)-5-methylpyrimidine;ethane
CID 145136469
5-methyl-2-(tribromomethylsulfonyl)pyridine
CID 22892605

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-methylsulfonylpyrimidine?
The IUPAC name of ethane;5-methyl-2-methylsulfonylpyrimidine (CID 176693860) is ethane;5-methyl-2-methylsulfonylpyrimidine.
What is the SMILES notation for ethane;5-methyl-2-methylsulfonylpyrimidine?
The canonical SMILES for ethane;5-methyl-2-methylsulfonylpyrimidine is CC.CC.Cc1cnc(S(C)(=O)=O)nc1.
What is the InChIKey of ethane;5-methyl-2-methylsulfonylpyrimidine?
The InChIKey is AWHHXQCUPABZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S.2C2H6/c1-5-3-7-6(8-4-5)11(2,9)10;2*1-2/h3-4H,1-2H3;2*1-2H3.
What are the key properties of ethane;5-methyl-2-methylsulfonylpyrimidine?
ethane;5-methyl-2-methylsulfonylpyrimidine has a molecular weight of 232.35 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-methylsulfonylpyrimidine is sourced from PubChem (CID 176693860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).