2-chloro-5-(difluoromethyl)-4-methylsulfanylpyrimidine

C6H5ClF2N2S — CID 172585996

IUPAC2-chloro-5-(difluoromethyl)-4-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)ncc1C(F)F
InChIInChI=1S/C6H5ClF2N2S/c1-12-5-3(4(8)9)2-10-6(7)11-5/h2,4H,1H3
InChIKeyFKHWSHMHMQMMIQ-UHFFFAOYSA-N
MW210.64 g/mol
LogP2.79
Rot. Bonds2

About 2-chloro-5-(difluoromethyl)-4-methylsulfanylpyrimidine

2-chloro-5-(difluoromethyl)-4-methylsulfanylpyrimidine (PubChem CID 172585996) has the molecular formula C6H5ClF2N2S and a molecular weight of 210.64 g/mol. Its IUPAC name is 2-chloro-5-(difluoromethyl)-4-methylsulfanylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-(difluoromethyl)-4-methylsulfanylpyrimidine
PubChem CID172585996
Molecular FormulaC6H5ClF2N2S
Molecular Weight210.64 g/mol
Exact Mass209.98
IUPAC Name2-chloro-5-(difluoromethyl)-4-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)ncc1C(F)F
InChIInChI=1S/C6H5ClF2N2S/c1-12-5-3(4(8)9)2-10-6(7)11-5/h2,4H,1H3
InChIKeyFKHWSHMHMQMMIQ-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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Related Compounds

2-Chloro-4-(methylthio)pyrimidine
CID 16427148
5-Bromo-2-chloro-4-(methylthio)pyrimidine
CID 12264796
4-Chloro-5-methyl-2-(methylthio)pyrimidine
CID 23562708
4-Chloro-2-(ethylsulfanyl)-5-methylpyrimidine
CID 300167
Pyrimidine, 5-bromo-4-(methylthio)-
CID 12270080
2-Chloro-5-fluoro-4-(methylsulfanyl)pyrimidine
CID 13608251
2-Chloro-5-fluoro-4-thiocyanopyrimidine
CID 14256952
2-Chloro-5-(methylthio)pyrimidine
CID 21979532
2,5-Dichloro-4-(methylsulfanyl)pyrimidine
CID 58200927
4-Fluoro-5-methyl-2-(methylsulfanyl)pyrimidine
CID 177800939
2-Chloro-4-ethylsulfanyl-5-fluoropyrimidine
CID 13530705
5-Methyl-2,4-bis(methylthio)pyrimidine
CID 11401210

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(difluoromethyl)-4-methylsulfanylpyrimidine?
The IUPAC name of 2-chloro-5-(difluoromethyl)-4-methylsulfanylpyrimidine (CID 172585996) is 2-chloro-5-(difluoromethyl)-4-methylsulfanylpyrimidine.
What is the SMILES notation for 2-chloro-5-(difluoromethyl)-4-methylsulfanylpyrimidine?
The canonical SMILES for 2-chloro-5-(difluoromethyl)-4-methylsulfanylpyrimidine is CSc1nc(Cl)ncc1C(F)F.
What is the InChIKey of 2-chloro-5-(difluoromethyl)-4-methylsulfanylpyrimidine?
The InChIKey is FKHWSHMHMQMMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2S/c1-12-5-3(4(8)9)2-10-6(7)11-5/h2,4H,1H3.
What are the key properties of 2-chloro-5-(difluoromethyl)-4-methylsulfanylpyrimidine?
2-chloro-5-(difluoromethyl)-4-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 2-chloro-5-(difluoromethyl)-4-methylsulfanylpyrimidine is sourced from PubChem (CID 172585996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).