4,6-bis(difluoromethoxy)-2-methylsulfanylpyrimidine

C7H6F4N2O2S — CID 11043427

IUPAC4,6-bis(difluoromethoxy)-2-methylsulfanylpyrimidine
SMILESCSc1nc(OC(F)F)cc(OC(F)F)n1
InChIInChI=1S/C7H6F4N2O2S/c1-16-7-12-3(14-5(8)9)2-4(13-7)15-6(10)11/h2,5-6H,1H3
InChIKeyHURDQHYOXAOOJJ-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.40
Rot. Bonds5

About 4,6-bis(difluoromethoxy)-2-methylsulfanylpyrimidine

4,6-bis(difluoromethoxy)-2-methylsulfanylpyrimidine (PubChem CID 11043427) has the molecular formula C7H6F4N2O2S and a molecular weight of 258.20 g/mol. Its IUPAC name is 4,6-bis(difluoromethoxy)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4,6-bis(difluoromethoxy)-2-methylsulfanylpyrimidine
PubChem CID11043427
Molecular FormulaC7H6F4N2O2S
Molecular Weight258.20 g/mol
Exact Mass258.01
IUPAC Name4,6-bis(difluoromethoxy)-2-methylsulfanylpyrimidine
SMILESCSc1nc(OC(F)F)cc(OC(F)F)n1
InChIInChI=1S/C7H6F4N2O2S/c1-16-7-12-3(14-5(8)9)2-4(13-7)15-6(10)11/h2,5-6H,1H3
InChIKeyHURDQHYOXAOOJJ-UHFFFAOYSA-N
XLogP2.40
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(difluoromethoxy)-2-methylsulfanylpyrimidine?
The IUPAC name of 4,6-bis(difluoromethoxy)-2-methylsulfanylpyrimidine (CID 11043427) is 4,6-bis(difluoromethoxy)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4,6-bis(difluoromethoxy)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4,6-bis(difluoromethoxy)-2-methylsulfanylpyrimidine is CSc1nc(OC(F)F)cc(OC(F)F)n1.
What is the InChIKey of 4,6-bis(difluoromethoxy)-2-methylsulfanylpyrimidine?
The InChIKey is HURDQHYOXAOOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2O2S/c1-16-7-12-3(14-5(8)9)2-4(13-7)15-6(10)11/h2,5-6H,1H3.
What are the key properties of 4,6-bis(difluoromethoxy)-2-methylsulfanylpyrimidine?
4,6-bis(difluoromethoxy)-2-methylsulfanylpyrimidine has a molecular weight of 258.20 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(difluoromethoxy)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 11043427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).