2-(difluoromethylsulfanyl)-4-methylpyrimidine

C6H6F2N2S — CID 14621858

IUPAC2-(difluoromethylsulfanyl)-4-methylpyrimidine
SMILESCc1ccnc(SC(F)F)n1
InChIInChI=1S/C6H6F2N2S/c1-4-2-3-9-6(10-4)11-5(7)8/h2-3,5H,1H3
InChIKeyOOLSKYNBTRMLCQ-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.10
Rot. Bonds2

About 2-(difluoromethylsulfanyl)-4-methylpyrimidine

2-(difluoromethylsulfanyl)-4-methylpyrimidine (PubChem CID 14621858) has the molecular formula C6H6F2N2S and a molecular weight of 176.19 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-4-methylpyrimidine.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-4-methylpyrimidine
PubChem CID14621858
Molecular FormulaC6H6F2N2S
Molecular Weight176.19 g/mol
Exact Mass176.02
IUPAC Name2-(difluoromethylsulfanyl)-4-methylpyrimidine
SMILESCc1ccnc(SC(F)F)n1
InChIInChI=1S/C6H6F2N2S/c1-4-2-3-9-6(10-4)11-5(7)8/h2-3,5H,1H3
InChIKeyOOLSKYNBTRMLCQ-UHFFFAOYSA-N
XLogP2.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-4-methylpyrimidine?
The IUPAC name of 2-(difluoromethylsulfanyl)-4-methylpyrimidine (CID 14621858) is 2-(difluoromethylsulfanyl)-4-methylpyrimidine.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-4-methylpyrimidine?
The canonical SMILES for 2-(difluoromethylsulfanyl)-4-methylpyrimidine is Cc1ccnc(SC(F)F)n1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-4-methylpyrimidine?
The InChIKey is OOLSKYNBTRMLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2S/c1-4-2-3-9-6(10-4)11-5(7)8/h2-3,5H,1H3.
What are the key properties of 2-(difluoromethylsulfanyl)-4-methylpyrimidine?
2-(difluoromethylsulfanyl)-4-methylpyrimidine has a molecular weight of 176.19 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-4-methylpyrimidine is sourced from PubChem (CID 14621858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).