2-(difluoromethylsulfanyl)pyrimidine

C5H4F2N2S — CID 10749503

IUPAC2-(difluoromethylsulfanyl)pyrimidine
SMILESFC(F)Sc1ncccn1
InChIInChI=1S/C5H4F2N2S/c6-4(7)10-5-8-2-1-3-9-5/h1-4H
InChIKeyFWBOYZCLRDVGNF-UHFFFAOYSA-N
MW162.16 g/mol
LogP1.79
Rot. Bonds2

About 2-(difluoromethylsulfanyl)pyrimidine

2-(difluoromethylsulfanyl)pyrimidine (PubChem CID 10749503) has the molecular formula C5H4F2N2S and a molecular weight of 162.16 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)pyrimidine
PubChem CID10749503
Molecular FormulaC5H4F2N2S
Molecular Weight162.16 g/mol
Exact Mass162.01
IUPAC Name2-(difluoromethylsulfanyl)pyrimidine
SMILESFC(F)Sc1ncccn1
InChIInChI=1S/C5H4F2N2S/c6-4(7)10-5-8-2-1-3-9-5/h1-4H
InChIKeyFWBOYZCLRDVGNF-UHFFFAOYSA-N
XLogP1.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimidine
CID 9260
2-Aminopyrimidine
CID 7978
2-Fluoropyrimidine
CID 141643
2-Chloropyrimidine
CID 74404
2,4-Difluoropyrimidine
CID 137716
2-(Trifluoromethyl)pyrimidin-4-amine
CID 244056
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
2-Dimethylaminopyrimidine
CID 521717

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)pyrimidine?
The IUPAC name of 2-(difluoromethylsulfanyl)pyrimidine (CID 10749503) is 2-(difluoromethylsulfanyl)pyrimidine.
What is the SMILES notation for 2-(difluoromethylsulfanyl)pyrimidine?
The canonical SMILES for 2-(difluoromethylsulfanyl)pyrimidine is FC(F)Sc1ncccn1.
What is the InChIKey of 2-(difluoromethylsulfanyl)pyrimidine?
The InChIKey is FWBOYZCLRDVGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2S/c6-4(7)10-5-8-2-1-3-9-5/h1-4H.
What are the key properties of 2-(difluoromethylsulfanyl)pyrimidine?
2-(difluoromethylsulfanyl)pyrimidine has a molecular weight of 162.16 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)pyrimidine is sourced from PubChem (CID 10749503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).