4,6-difluoro-2,5-bis(methylsulfanyl)pyrimidine

C6H6F2N2S2 — CID 126714725

IUPAC4,6-difluoro-2,5-bis(methylsulfanyl)pyrimidine
SMILESCSc1nc(F)c(SC)c(F)n1
InChIInChI=1S/C6H6F2N2S2/c1-11-3-4(7)9-6(12-2)10-5(3)8/h1-2H3
InChIKeyJMGSJQRFTWUHCA-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.20
Rot. Bonds2

About 4,6-difluoro-2,5-bis(methylsulfanyl)pyrimidine

4,6-difluoro-2,5-bis(methylsulfanyl)pyrimidine (PubChem CID 126714725) has the molecular formula C6H6F2N2S2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4,6-difluoro-2,5-bis(methylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4,6-difluoro-2,5-bis(methylsulfanyl)pyrimidine
PubChem CID126714725
Molecular FormulaC6H6F2N2S2
Molecular Weight208.26 g/mol
Exact Mass207.99
IUPAC Name4,6-difluoro-2,5-bis(methylsulfanyl)pyrimidine
SMILESCSc1nc(F)c(SC)c(F)n1
InChIInChI=1S/C6H6F2N2S2/c1-11-3-4(7)9-6(12-2)10-5(3)8/h1-2H3
InChIKeyJMGSJQRFTWUHCA-UHFFFAOYSA-N
XLogP2.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Methylthio)-2,4,6-trifluoropyrimidine
CID 13423705
4-Amino-2,6-difluoro-5-methylthio-pyrimidine
CID 13579895
4,6-Difluoro-5-methylsulfanylpyrimidin-2-amine
CID 13579896
2,4,6-Trifluoro-5-(methanesulfonyl)pyrimidine
CID 19738394
5-(1-Chloroethylsulfanyl)-2,4,6-trifluoropyrimidine
CID 19996609
5-(Dichloromethylthio)-2,4,6-trifluoropyrimidine
CID 19996614
5-(Chloromethylsulfanyl)-2,4,6-trifluoropyrimidine
CID 19996633
5-Ethylsulfanyl-2,4,6-trifluoropyrimidine
CID 19996634
2,4,6-Trifluoro-5-methylsulfinylpyrimidine
CID 22158545
5-(2-Chloroethylsulfanyl)-2,4,6-trifluoropyrimidine
CID 53834767
5-Chloro-4,6-difluoro-2-methylsulfanylpyrimidine
CID 118554469
5-Chloro-4-fluoro-2,6-bis(methylsulfanyl)pyrimidine
CID 123146729

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2,5-bis(methylsulfanyl)pyrimidine?
The IUPAC name of 4,6-difluoro-2,5-bis(methylsulfanyl)pyrimidine (CID 126714725) is 4,6-difluoro-2,5-bis(methylsulfanyl)pyrimidine.
What is the SMILES notation for 4,6-difluoro-2,5-bis(methylsulfanyl)pyrimidine?
The canonical SMILES for 4,6-difluoro-2,5-bis(methylsulfanyl)pyrimidine is CSc1nc(F)c(SC)c(F)n1.
What is the InChIKey of 4,6-difluoro-2,5-bis(methylsulfanyl)pyrimidine?
The InChIKey is JMGSJQRFTWUHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2S2/c1-11-3-4(7)9-6(12-2)10-5(3)8/h1-2H3.
What are the key properties of 4,6-difluoro-2,5-bis(methylsulfanyl)pyrimidine?
4,6-difluoro-2,5-bis(methylsulfanyl)pyrimidine has a molecular weight of 208.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2,5-bis(methylsulfanyl)pyrimidine is sourced from PubChem (CID 126714725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).