4-(difluoromethoxy)-6-methyl-2-methylsulfonylpyrimidine

C7H8F2N2O3S — CID 13491821

IUPAC4-(difluoromethoxy)-6-methyl-2-methylsulfonylpyrimidine
SMILESCc1cc(OC(F)F)nc(S(C)(=O)=O)n1
InChIInChI=1S/C7H8F2N2O3S/c1-4-3-5(14-6(8)9)11-7(10-4)15(2,12)13/h3,6H,1-2H3
InChIKeyJVMIQOAPPVRCGE-UHFFFAOYSA-N
MW238.21 g/mol
LogP0.79
Rot. Bonds3

About 4-(difluoromethoxy)-6-methyl-2-methylsulfonylpyrimidine

4-(difluoromethoxy)-6-methyl-2-methylsulfonylpyrimidine (PubChem CID 13491821) has the molecular formula C7H8F2N2O3S and a molecular weight of 238.21 g/mol. Its IUPAC name is 4-(difluoromethoxy)-6-methyl-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Name4-(difluoromethoxy)-6-methyl-2-methylsulfonylpyrimidine
PubChem CID13491821
Molecular FormulaC7H8F2N2O3S
Molecular Weight238.21 g/mol
Exact Mass238.02
IUPAC Name4-(difluoromethoxy)-6-methyl-2-methylsulfonylpyrimidine
SMILESCc1cc(OC(F)F)nc(S(C)(=O)=O)n1
InChIInChI=1S/C7H8F2N2O3S/c1-4-3-5(14-6(8)9)11-7(10-4)15(2,12)13/h3,6H,1-2H3
InChIKeyJVMIQOAPPVRCGE-UHFFFAOYSA-N
XLogP0.79
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-6-methyl-2-methylsulfonylpyrimidine?
The IUPAC name of 4-(difluoromethoxy)-6-methyl-2-methylsulfonylpyrimidine (CID 13491821) is 4-(difluoromethoxy)-6-methyl-2-methylsulfonylpyrimidine.
What is the SMILES notation for 4-(difluoromethoxy)-6-methyl-2-methylsulfonylpyrimidine?
The canonical SMILES for 4-(difluoromethoxy)-6-methyl-2-methylsulfonylpyrimidine is Cc1cc(OC(F)F)nc(S(C)(=O)=O)n1.
What is the InChIKey of 4-(difluoromethoxy)-6-methyl-2-methylsulfonylpyrimidine?
The InChIKey is JVMIQOAPPVRCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O3S/c1-4-3-5(14-6(8)9)11-7(10-4)15(2,12)13/h3,6H,1-2H3.
What are the key properties of 4-(difluoromethoxy)-6-methyl-2-methylsulfonylpyrimidine?
4-(difluoromethoxy)-6-methyl-2-methylsulfonylpyrimidine has a molecular weight of 238.21 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-6-methyl-2-methylsulfonylpyrimidine is sourced from PubChem (CID 13491821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).