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

C7H8F2N2O2S — CID 13491826

IUPAC4-(difluoromethoxy)-6-methyl-2-methylsulfinylpyrimidine
SMILESCc1cc(OC(F)F)nc(S(C)=O)n1
InChIInChI=1S/C7H8F2N2O2S/c1-4-3-5(13-6(8)9)11-7(10-4)14(2)12/h3,6H,1-2H3
InChIKeyBVLLMAGNEZVRDB-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.12
Rot. Bonds3

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

4-(difluoromethoxy)-6-methyl-2-methylsulfinylpyrimidine (PubChem CID 13491826) has the molecular formula C7H8F2N2O2S and a molecular weight of 222.22 g/mol. Its IUPAC name is 4-(difluoromethoxy)-6-methyl-2-methylsulfinylpyrimidine.

Molecular Properties

Compound Name4-(difluoromethoxy)-6-methyl-2-methylsulfinylpyrimidine
PubChem CID13491826
Molecular FormulaC7H8F2N2O2S
Molecular Weight222.22 g/mol
Exact Mass222.03
IUPAC Name4-(difluoromethoxy)-6-methyl-2-methylsulfinylpyrimidine
SMILESCc1cc(OC(F)F)nc(S(C)=O)n1
InChIInChI=1S/C7H8F2N2O2S/c1-4-3-5(13-6(8)9)11-7(10-4)14(2)12/h3,6H,1-2H3
InChIKeyBVLLMAGNEZVRDB-UHFFFAOYSA-N
XLogP1.12
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-6-methyl-2-methylsulfinylpyrimidine?
The IUPAC name of 4-(difluoromethoxy)-6-methyl-2-methylsulfinylpyrimidine (CID 13491826) is 4-(difluoromethoxy)-6-methyl-2-methylsulfinylpyrimidine.
What is the SMILES notation for 4-(difluoromethoxy)-6-methyl-2-methylsulfinylpyrimidine?
The canonical SMILES for 4-(difluoromethoxy)-6-methyl-2-methylsulfinylpyrimidine is Cc1cc(OC(F)F)nc(S(C)=O)n1.
What is the InChIKey of 4-(difluoromethoxy)-6-methyl-2-methylsulfinylpyrimidine?
The InChIKey is BVLLMAGNEZVRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2S/c1-4-3-5(13-6(8)9)11-7(10-4)14(2)12/h3,6H,1-2H3.
What are the key properties of 4-(difluoromethoxy)-6-methyl-2-methylsulfinylpyrimidine?
4-(difluoromethoxy)-6-methyl-2-methylsulfinylpyrimidine has a molecular weight of 222.22 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-6-methyl-2-methylsulfinylpyrimidine is sourced from PubChem (CID 13491826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).