4-methylsulfanylpyrimidine

C5H6N2S — CID 5324771

IUPAC4-methylsulfanylpyrimidine
SMILESCSc1ccncn1
InChIInChI=1S/C5H6N2S/c1-8-5-2-3-6-4-7-5/h2-4H,1H3
InChIKeyJPFCCCDVVRPQQF-UHFFFAOYSA-N
MW126.18 g/mol
LogP1.20
Rot. Bonds1

About 4-methylsulfanylpyrimidine

4-methylsulfanylpyrimidine (PubChem CID 5324771) has the molecular formula C5H6N2S and a molecular weight of 126.18 g/mol. Its IUPAC name is 4-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-methylsulfanylpyrimidine
PubChem CID5324771
Molecular FormulaC5H6N2S
Molecular Weight126.18 g/mol
Exact Mass126.03
IUPAC Name4-methylsulfanylpyrimidine
SMILESCSc1ccncn1
InChIInChI=1S/C5H6N2S/c1-8-5-2-3-6-4-7-5/h2-4H,1H3
InChIKeyJPFCCCDVVRPQQF-UHFFFAOYSA-N
XLogP1.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanylpyrimidine?
The IUPAC name of 4-methylsulfanylpyrimidine (CID 5324771) is 4-methylsulfanylpyrimidine.
What is the SMILES notation for 4-methylsulfanylpyrimidine?
The canonical SMILES for 4-methylsulfanylpyrimidine is CSc1ccncn1.
What is the InChIKey of 4-methylsulfanylpyrimidine?
The InChIKey is JPFCCCDVVRPQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S/c1-8-5-2-3-6-4-7-5/h2-4H,1H3.
What are the key properties of 4-methylsulfanylpyrimidine?
4-methylsulfanylpyrimidine has a molecular weight of 126.18 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanylpyrimidine is sourced from PubChem (CID 5324771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).