5-(difluoromethoxy)-2-methylsulfanylpyrimidine

C6H6F2N2OS — CID 67072759

IUPAC5-(difluoromethoxy)-2-methylsulfanylpyrimidine
SMILESCSc1ncc(OC(F)F)cn1
InChIInChI=1S/C6H6F2N2OS/c1-12-6-9-2-4(3-10-6)11-5(7)8/h2-3,5H,1H3
InChIKeyWHMKOOOGTPXXEZ-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.80
Rot. Bonds3

About 5-(difluoromethoxy)-2-methylsulfanylpyrimidine

5-(difluoromethoxy)-2-methylsulfanylpyrimidine (PubChem CID 67072759) has the molecular formula C6H6F2N2OS and a molecular weight of 192.19 g/mol. Its IUPAC name is 5-(difluoromethoxy)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name5-(difluoromethoxy)-2-methylsulfanylpyrimidine
PubChem CID67072759
Molecular FormulaC6H6F2N2OS
Molecular Weight192.19 g/mol
Exact Mass192.02
IUPAC Name5-(difluoromethoxy)-2-methylsulfanylpyrimidine
SMILESCSc1ncc(OC(F)F)cn1
InChIInChI=1S/C6H6F2N2OS/c1-12-6-9-2-4(3-10-6)11-5(7)8/h2-3,5H,1H3
InChIKeyWHMKOOOGTPXXEZ-UHFFFAOYSA-N
XLogP1.80
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methoxypyrimidin-4-amine
CID 817704
2-Amino-5-methoxypyrimidine
CID 2305244
2-(Methylsulfanyl)pyrimidin-5-ol
CID 588357
2-Chloro-5-methoxypyrimidine
CID 589058
2-Methanesulfonyl-5-methoxy-pyrimidine
CID 4159151
2-Methylthio-5-(3-iodopropargyloxy)pyrimidine
CID 65804
5-Methoxypyrimidine
CID 573467
5-Methoxypyrimidine-2-carbonitrile
CID 3715049
2-Fluoro-5-methoxypyrimidine
CID 581840
2-Chloro-5-(difluoromethoxy)pyrimidine
CID 57476557
2-Bromo-5-methoxypyrimidine
CID 72207412
2-Chloro-5-(2,2,2-trifluoroethoxy)pyrimidine
CID 85673229

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-2-methylsulfanylpyrimidine?
The IUPAC name of 5-(difluoromethoxy)-2-methylsulfanylpyrimidine (CID 67072759) is 5-(difluoromethoxy)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 5-(difluoromethoxy)-2-methylsulfanylpyrimidine?
The canonical SMILES for 5-(difluoromethoxy)-2-methylsulfanylpyrimidine is CSc1ncc(OC(F)F)cn1.
What is the InChIKey of 5-(difluoromethoxy)-2-methylsulfanylpyrimidine?
The InChIKey is WHMKOOOGTPXXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2OS/c1-12-6-9-2-4(3-10-6)11-5(7)8/h2-3,5H,1H3.
What are the key properties of 5-(difluoromethoxy)-2-methylsulfanylpyrimidine?
5-(difluoromethoxy)-2-methylsulfanylpyrimidine has a molecular weight of 192.19 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 67072759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).