5-chloro-2-methylsulfanylpyrimidine

C5H5ClN2S — CID 4737063

IUPAC5-chloro-2-methylsulfanylpyrimidine
SMILESCSc1ncc(Cl)cn1
InChIInChI=1S/C5H5ClN2S/c1-9-5-7-2-4(6)3-8-5/h2-3H,1H3
InChIKeyYYQOYLZOMFNKKG-UHFFFAOYSA-N
MW160.63 g/mol
LogP1.85
Rot. Bonds1

About 5-chloro-2-methylsulfanylpyrimidine

5-chloro-2-methylsulfanylpyrimidine (PubChem CID 4737063) has the molecular formula C5H5ClN2S and a molecular weight of 160.63 g/mol. Its IUPAC name is 5-chloro-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name5-chloro-2-methylsulfanylpyrimidine
PubChem CID4737063
Molecular FormulaC5H5ClN2S
Molecular Weight160.63 g/mol
Exact Mass159.99
IUPAC Name5-chloro-2-methylsulfanylpyrimidine
SMILESCSc1ncc(Cl)cn1
InChIInChI=1S/C5H5ClN2S/c1-9-5-7-2-4(6)3-8-5/h2-3H,1H3
InChIKeyYYQOYLZOMFNKKG-UHFFFAOYSA-N
XLogP1.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.63
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylsulfanylpyrimidine?
The IUPAC name of 5-chloro-2-methylsulfanylpyrimidine (CID 4737063) is 5-chloro-2-methylsulfanylpyrimidine.
What is the SMILES notation for 5-chloro-2-methylsulfanylpyrimidine?
The canonical SMILES for 5-chloro-2-methylsulfanylpyrimidine is CSc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-2-methylsulfanylpyrimidine?
The InChIKey is YYQOYLZOMFNKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2S/c1-9-5-7-2-4(6)3-8-5/h2-3H,1H3.
What are the key properties of 5-chloro-2-methylsulfanylpyrimidine?
5-chloro-2-methylsulfanylpyrimidine has a molecular weight of 160.63 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylsulfanylpyrimidine is sourced from PubChem (CID 4737063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).