4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine

C6H5ClF2N2S — CID 56972980

IUPAC4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(C(F)F)n1
InChIInChI=1S/C6H5ClF2N2S/c1-12-6-10-3(5(8)9)2-4(7)11-6/h2,5H,1H3
InChIKeyIHRHHFIDUYHBOD-UHFFFAOYSA-N
MW210.64 g/mol
LogP2.79
Rot. Bonds2

About 4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine

4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine (PubChem CID 56972980) has the molecular formula C6H5ClF2N2S and a molecular weight of 210.64 g/mol. Its IUPAC name is 4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine
PubChem CID56972980
Molecular FormulaC6H5ClF2N2S
Molecular Weight210.64 g/mol
Exact Mass209.98
IUPAC Name4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(C(F)F)n1
InChIInChI=1S/C6H5ClF2N2S/c1-12-6-10-3(5(8)9)2-4(7)11-6/h2,5H,1H3
InChIKeyIHRHHFIDUYHBOD-UHFFFAOYSA-N
XLogP2.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.64
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine?
The IUPAC name of 4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine (CID 56972980) is 4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine is CSc1nc(Cl)cc(C(F)F)n1.
What is the InChIKey of 4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine?
The InChIKey is IHRHHFIDUYHBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2S/c1-12-6-10-3(5(8)9)2-4(7)11-6/h2,5H,1H3.
What are the key properties of 4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine?
4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine has a molecular weight of 210.64 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 56972980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).