5-methoxy-2-methylsulfonylpyrimidine

C6H8N2O3S — CID 4159151

IUPAC5-methoxy-2-methylsulfonylpyrimidine
SMILESCOc1cnc(S(C)(=O)=O)nc1
InChIInChI=1S/C6H8N2O3S/c1-11-5-3-7-6(8-4-5)12(2,9)10/h3-4H,1-2H3
InChIKeyVZZFSIFKVARSJZ-UHFFFAOYSA-N
MW188.21 g/mol
LogP-0.11
Rot. Bonds2

About 5-methoxy-2-methylsulfonylpyrimidine

5-methoxy-2-methylsulfonylpyrimidine (PubChem CID 4159151) has the molecular formula C6H8N2O3S and a molecular weight of 188.21 g/mol. Its IUPAC name is 5-methoxy-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Name5-methoxy-2-methylsulfonylpyrimidine
PubChem CID4159151
Molecular FormulaC6H8N2O3S
Molecular Weight188.21 g/mol
Exact Mass188.03
IUPAC Name5-methoxy-2-methylsulfonylpyrimidine
SMILESCOc1cnc(S(C)(=O)=O)nc1
InChIInChI=1S/C6H8N2O3S/c1-11-5-3-7-6(8-4-5)12(2,9)10/h3-4H,1-2H3
InChIKeyVZZFSIFKVARSJZ-UHFFFAOYSA-N
XLogP-0.11
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methylsulfonylpyrimidine?
The IUPAC name of 5-methoxy-2-methylsulfonylpyrimidine (CID 4159151) is 5-methoxy-2-methylsulfonylpyrimidine.
What is the SMILES notation for 5-methoxy-2-methylsulfonylpyrimidine?
The canonical SMILES for 5-methoxy-2-methylsulfonylpyrimidine is COc1cnc(S(C)(=O)=O)nc1.
What is the InChIKey of 5-methoxy-2-methylsulfonylpyrimidine?
The InChIKey is VZZFSIFKVARSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S/c1-11-5-3-7-6(8-4-5)12(2,9)10/h3-4H,1-2H3.
What are the key properties of 5-methoxy-2-methylsulfonylpyrimidine?
5-methoxy-2-methylsulfonylpyrimidine has a molecular weight of 188.21 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methylsulfonylpyrimidine is sourced from PubChem (CID 4159151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).