2-(trifluoromethylsulfanyl)pyrimidine

C5H3F3N2S — CID 6421025

IUPAC2-(trifluoromethylsulfanyl)pyrimidine
SMILESFC(F)(F)Sc1ncccn1
InChIInChI=1S/C5H3F3N2S/c6-5(7,8)11-4-9-2-1-3-10-4/h1-3H
InChIKeyKHUPUHPMJHZUHB-UHFFFAOYSA-N
MW180.15 g/mol
LogP2.09
Rot. Bonds1

About 2-(trifluoromethylsulfanyl)pyrimidine

2-(trifluoromethylsulfanyl)pyrimidine (PubChem CID 6421025) has the molecular formula C5H3F3N2S and a molecular weight of 180.15 g/mol. Its IUPAC name is 2-(trifluoromethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name2-(trifluoromethylsulfanyl)pyrimidine
PubChem CID6421025
Molecular FormulaC5H3F3N2S
Molecular Weight180.15 g/mol
Exact Mass180.00
IUPAC Name2-(trifluoromethylsulfanyl)pyrimidine
SMILESFC(F)(F)Sc1ncccn1
InChIInChI=1S/C5H3F3N2S/c6-5(7,8)11-4-9-2-1-3-10-4/h1-3H
InChIKeyKHUPUHPMJHZUHB-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Aminopyrimidine
CID 7978
Pyrimidine
CID 9260
2-Bromopyrimidine
CID 78345
2-Fluoropyrimidine
CID 141643
2-Chloropyrimidine
CID 74404
2,4-Difluoropyrimidine
CID 137716
4-Chloro-2-methylthiopyrimidine
CID 97113
2-Iodopyrimidine
CID 11356200
2-(Methylthio)pyrimidin-4-amine
CID 259225
2-(Methylsulfanyl)pyrimidine
CID 522772
2-Pyrimidinamine, hydrochloride (1:?)
CID 21283515
1H-Pyrimidine-2,4-diselone
CID 6330300

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfanyl)pyrimidine?
The IUPAC name of 2-(trifluoromethylsulfanyl)pyrimidine (CID 6421025) is 2-(trifluoromethylsulfanyl)pyrimidine.
What is the SMILES notation for 2-(trifluoromethylsulfanyl)pyrimidine?
The canonical SMILES for 2-(trifluoromethylsulfanyl)pyrimidine is FC(F)(F)Sc1ncccn1.
What is the InChIKey of 2-(trifluoromethylsulfanyl)pyrimidine?
The InChIKey is KHUPUHPMJHZUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2S/c6-5(7,8)11-4-9-2-1-3-10-4/h1-3H.
What are the key properties of 2-(trifluoromethylsulfanyl)pyrimidine?
2-(trifluoromethylsulfanyl)pyrimidine has a molecular weight of 180.15 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfanyl)pyrimidine is sourced from PubChem (CID 6421025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).