4,6-dimethoxy-2-methylsulfonylpyrimidine

C7H10N2O4S — CID 838363

IUPAC4,6-dimethoxy-2-methylsulfonylpyrimidine
SMILESCOc1cc(OC)nc(S(C)(=O)=O)n1
InChIInChI=1S/C7H10N2O4S/c1-12-5-4-6(13-2)9-7(8-5)14(3,10)11/h4H,1-3H3
InChIKeyITDVJJVNAASTRS-UHFFFAOYSA-N
MW218.23 g/mol
LogP-0.10
Rot. Bonds3

About 4,6-dimethoxy-2-methylsulfonylpyrimidine

4,6-dimethoxy-2-methylsulfonylpyrimidine (PubChem CID 838363) has the molecular formula C7H10N2O4S and a molecular weight of 218.23 g/mol. Its IUPAC name is 4,6-dimethoxy-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-methylsulfonylpyrimidine
PubChem CID838363
Molecular FormulaC7H10N2O4S
Molecular Weight218.23 g/mol
Exact Mass218.04
IUPAC Name4,6-dimethoxy-2-methylsulfonylpyrimidine
SMILESCOc1cc(OC)nc(S(C)(=O)=O)n1
InChIInChI=1S/C7H10N2O4S/c1-12-5-4-6(13-2)9-7(8-5)14(3,10)11/h4H,1-3H3
InChIKeyITDVJJVNAASTRS-UHFFFAOYSA-N
XLogP-0.10
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,6-dimethoxy-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

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-methylsulfonylpyrimidine?
The IUPAC name of 4,6-dimethoxy-2-methylsulfonylpyrimidine (CID 838363) is 4,6-dimethoxy-2-methylsulfonylpyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-methylsulfonylpyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-methylsulfonylpyrimidine is COc1cc(OC)nc(S(C)(=O)=O)n1.
What is the InChIKey of 4,6-dimethoxy-2-methylsulfonylpyrimidine?
The InChIKey is ITDVJJVNAASTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4S/c1-12-5-4-6(13-2)9-7(8-5)14(3,10)11/h4H,1-3H3.
What are the key properties of 4,6-dimethoxy-2-methylsulfonylpyrimidine?
4,6-dimethoxy-2-methylsulfonylpyrimidine has a molecular weight of 218.23 g/mol, XLogP of -0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-methylsulfonylpyrimidine is sourced from PubChem (CID 838363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).