2-(2-fluoroethylsulfanyl)pyrimidine

C6H7FN2S — CID 119088079

IUPAC2-(2-fluoroethylsulfanyl)pyrimidine
SMILESFCCSc1ncccn1
InChIInChI=1S/C6H7FN2S/c7-2-5-10-6-8-3-1-4-9-6/h1,3-4H,2,5H2
InChIKeyOMNOTLYNJKJSKU-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.54
Rot. Bonds3

About 2-(2-fluoroethylsulfanyl)pyrimidine

2-(2-fluoroethylsulfanyl)pyrimidine (PubChem CID 119088079) has the molecular formula C6H7FN2S and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(2-fluoroethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name2-(2-fluoroethylsulfanyl)pyrimidine
PubChem CID119088079
Molecular FormulaC6H7FN2S
Molecular Weight158.20 g/mol
Exact Mass158.03
IUPAC Name2-(2-fluoroethylsulfanyl)pyrimidine
SMILESFCCSc1ncccn1
InChIInChI=1S/C6H7FN2S/c7-2-5-10-6-8-3-1-4-9-6/h1,3-4H,2,5H2
InChIKeyOMNOTLYNJKJSKU-UHFFFAOYSA-N
XLogP1.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimidine
CID 9260
2-Aminopyrimidine
CID 7978
(Pyrimidin-2-ylthio)acetic acid
CID 581022
2-Fluoropyrimidine
CID 141643
2,4-Difluoropyrimidine
CID 137716
4-(Methylsulfanyl)pyrimidin-2-amine
CID 238736
4-Chloro-2-methylthiopyrimidine
CID 97113
2-(Methylthio)pyrimidin-4-amine
CID 259225
2-(Methylsulfanyl)pyrimidine
CID 522772
4-(Pyrimidin-2-yl)thiomorpholine
CID 868189
4-Iodo-2-(methylthio)pyrimidine
CID 3858901
2-(Ethylsulfanyl)pyrimidine
CID 12764701

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethylsulfanyl)pyrimidine?
The IUPAC name of 2-(2-fluoroethylsulfanyl)pyrimidine (CID 119088079) is 2-(2-fluoroethylsulfanyl)pyrimidine.
What is the SMILES notation for 2-(2-fluoroethylsulfanyl)pyrimidine?
The canonical SMILES for 2-(2-fluoroethylsulfanyl)pyrimidine is FCCSc1ncccn1.
What is the InChIKey of 2-(2-fluoroethylsulfanyl)pyrimidine?
The InChIKey is OMNOTLYNJKJSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2S/c7-2-5-10-6-8-3-1-4-9-6/h1,3-4H,2,5H2.
What are the key properties of 2-(2-fluoroethylsulfanyl)pyrimidine?
2-(2-fluoroethylsulfanyl)pyrimidine has a molecular weight of 158.20 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethylsulfanyl)pyrimidine is sourced from PubChem (CID 119088079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).