2,4,6-trifluoro-5-methylsulfanylpyrimidine

C5H3F3N2S — CID 13423705

IUPAC2,4,6-trifluoro-5-methylsulfanylpyrimidine
SMILESCSc1c(F)nc(F)nc1F
InChIInChI=1S/C5H3F3N2S/c1-11-2-3(6)9-5(8)10-4(2)7/h1H3
InChIKeyKPDNMMOXFDOPHP-UHFFFAOYSA-N
MW180.15 g/mol
LogP1.62
Rot. Bonds1

About 2,4,6-trifluoro-5-methylsulfanylpyrimidine

2,4,6-trifluoro-5-methylsulfanylpyrimidine (PubChem CID 13423705) has the molecular formula C5H3F3N2S and a molecular weight of 180.15 g/mol. Its IUPAC name is 2,4,6-trifluoro-5-methylsulfanylpyrimidine.

Molecular Properties

Compound Name2,4,6-trifluoro-5-methylsulfanylpyrimidine
PubChem CID13423705
Molecular FormulaC5H3F3N2S
Molecular Weight180.15 g/mol
Exact Mass180.00
IUPAC Name2,4,6-trifluoro-5-methylsulfanylpyrimidine
SMILESCSc1c(F)nc(F)nc1F
InChIInChI=1S/C5H3F3N2S/c1-11-2-3(6)9-5(8)10-4(2)7/h1H3
InChIKeyKPDNMMOXFDOPHP-UHFFFAOYSA-N
XLogP1.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.15
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-Trichloro-5-(trifluoromethylsulfanyl)pyrimidine
CID 21794026
5-(Trifluoromethylsulfanyl)pyrimidine-2,4,6-triamine
CID 21794029
2,4,6-Trichloro-5-methylsulfanyl-pyrimidine
CID 12225544
2-Chloro-5-(methylthio)-4,6-pyrimidinediamine
CID 51216
4-Amino-2,6-difluoro-5-methylthio-pyrimidine
CID 13579895
4,6-Difluoro-5-methylsulfanylpyrimidin-2-amine
CID 13579896
2,4,6-Trifluoropyrimidine-5-carbothialdehyde
CID 19021970
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

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-5-methylsulfanylpyrimidine?
The IUPAC name of 2,4,6-trifluoro-5-methylsulfanylpyrimidine (CID 13423705) is 2,4,6-trifluoro-5-methylsulfanylpyrimidine.
What is the SMILES notation for 2,4,6-trifluoro-5-methylsulfanylpyrimidine?
The canonical SMILES for 2,4,6-trifluoro-5-methylsulfanylpyrimidine is CSc1c(F)nc(F)nc1F.
What is the InChIKey of 2,4,6-trifluoro-5-methylsulfanylpyrimidine?
The InChIKey is KPDNMMOXFDOPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2S/c1-11-2-3(6)9-5(8)10-4(2)7/h1H3.
What are the key properties of 2,4,6-trifluoro-5-methylsulfanylpyrimidine?
2,4,6-trifluoro-5-methylsulfanylpyrimidine has a molecular weight of 180.15 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-5-methylsulfanylpyrimidine is sourced from PubChem (CID 13423705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).