2,4-dimethoxy-6-methylsulfonylpyrimidine

C7H10N2O4S — CID 123479315

IUPAC2,4-dimethoxy-6-methylsulfonylpyrimidine
SMILESCOc1cc(S(C)(=O)=O)nc(OC)n1
InChIInChI=1S/C7H10N2O4S/c1-12-5-4-6(14(3,10)11)9-7(8-5)13-2/h4H,1-3H3
InChIKeyDMCODTBLVLEGIP-UHFFFAOYSA-N
MW218.23 g/mol
LogP-0.10
Rot. Bonds3

About 2,4-dimethoxy-6-methylsulfonylpyrimidine

2,4-dimethoxy-6-methylsulfonylpyrimidine (PubChem CID 123479315) has the molecular formula C7H10N2O4S and a molecular weight of 218.23 g/mol. Its IUPAC name is 2,4-dimethoxy-6-methylsulfonylpyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-6-methylsulfonylpyrimidine
PubChem CID123479315
Molecular FormulaC7H10N2O4S
Molecular Weight218.23 g/mol
Exact Mass218.04
IUPAC Name2,4-dimethoxy-6-methylsulfonylpyrimidine
SMILESCOc1cc(S(C)(=O)=O)nc(OC)n1
InChIInChI=1S/C7H10N2O4S/c1-12-5-4-6(14(3,10)11)9-7(8-5)13-2/h4H,1-3H3
InChIKeyDMCODTBLVLEGIP-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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-methylsulfonylpyrimidine?
The IUPAC name of 2,4-dimethoxy-6-methylsulfonylpyrimidine (CID 123479315) is 2,4-dimethoxy-6-methylsulfonylpyrimidine.
What is the SMILES notation for 2,4-dimethoxy-6-methylsulfonylpyrimidine?
The canonical SMILES for 2,4-dimethoxy-6-methylsulfonylpyrimidine is COc1cc(S(C)(=O)=O)nc(OC)n1.
What is the InChIKey of 2,4-dimethoxy-6-methylsulfonylpyrimidine?
The InChIKey is DMCODTBLVLEGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4S/c1-12-5-4-6(14(3,10)11)9-7(8-5)13-2/h4H,1-3H3.
What are the key properties of 2,4-dimethoxy-6-methylsulfonylpyrimidine?
2,4-dimethoxy-6-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 2,4-dimethoxy-6-methylsulfonylpyrimidine is sourced from PubChem (CID 123479315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).