2-chloro-5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidine

C8H4ClFN4S — CID 79076829

IUPAC2-chloro-5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidine
SMILESFc1cnc(Cl)nc1Sc1ncccn1
InChIInChI=1S/C8H4ClFN4S/c9-7-13-4-5(10)6(14-7)15-8-11-2-1-3-12-8/h1-4H
InChIKeyLVLYOMUMTVFFGK-UHFFFAOYSA-N
MW242.67 g/mol
LogP2.21
Rot. Bonds2

About 2-chloro-5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidine

2-chloro-5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidine (PubChem CID 79076829) has the molecular formula C8H4ClFN4S and a molecular weight of 242.67 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidine
PubChem CID79076829
Molecular FormulaC8H4ClFN4S
Molecular Weight242.67 g/mol
Exact Mass241.98
IUPAC Name2-chloro-5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidine
SMILESFc1cnc(Cl)nc1Sc1ncccn1
InChIInChI=1S/C8H4ClFN4S/c9-7-13-4-5(10)6(14-7)15-8-11-2-1-3-12-8/h1-4H
InChIKeyLVLYOMUMTVFFGK-UHFFFAOYSA-N
XLogP2.21
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.67
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Chloro-4-(methylthio)pyrimidine
CID 16427148
4-Methylthiopyrimidine
CID 5324771
2-Chloro-5-fluoro-4-(methylsulfanyl)pyrimidine
CID 13608251
2-Chloro-5-fluoro-4-thiocyanopyrimidine
CID 14256952
Bis(2-pyrimidyl) disulfide
CID 267441
Pyrimidine, 2,2'-[methylenebis(thio)]bis-
CID 12059680
Di(2-pyrimidinyl) sulfide
CID 13357482
4-Thiocyanatopyrimidine
CID 21269606
2-(4-(Pyrimidin-2-ylthio)butylthio)pyrimidine
CID 57804723
2,5'-Thiodipyrimidine
CID 66973680
4-Fluoro-2-prop-2-enylsulfanylpyrimidine
CID 68998079
5-Fluoro-4-prop-2-enylsulfanylpyrimidine
CID 70590512

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidine (CID 79076829) is 2-chloro-5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidine is Fc1cnc(Cl)nc1Sc1ncccn1.
What is the InChIKey of 2-chloro-5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidine?
The InChIKey is LVLYOMUMTVFFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN4S/c9-7-13-4-5(10)6(14-7)15-8-11-2-1-3-12-8/h1-4H.
What are the key properties of 2-chloro-5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidine?
2-chloro-5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidine has a molecular weight of 242.67 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidine is sourced from PubChem (CID 79076829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).