2-methyl-4-methylsulfanylpyrimidine

C6H8N2S — CID 535940

IUPAC2-methyl-4-methylsulfanylpyrimidine
SMILESCSc1ccnc(C)n1
InChIInChI=1S/C6H8N2S/c1-5-7-4-3-6(8-5)9-2/h3-4H,1-2H3
InChIKeyPSMFJGXGZDKEQM-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.51
Rot. Bonds1

About 2-methyl-4-methylsulfanylpyrimidine

2-methyl-4-methylsulfanylpyrimidine (PubChem CID 535940) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 2-methyl-4-methylsulfanylpyrimidine.

Molecular Properties

Compound Name2-methyl-4-methylsulfanylpyrimidine
PubChem CID535940
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name2-methyl-4-methylsulfanylpyrimidine
SMILESCSc1ccnc(C)n1
InChIInChI=1S/C6H8N2S/c1-5-7-4-3-6(8-5)9-2/h3-4H,1-2H3
InChIKeyPSMFJGXGZDKEQM-UHFFFAOYSA-N
XLogP1.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylsulfanylpyrimidine?
The IUPAC name of 2-methyl-4-methylsulfanylpyrimidine (CID 535940) is 2-methyl-4-methylsulfanylpyrimidine.
What is the SMILES notation for 2-methyl-4-methylsulfanylpyrimidine?
The canonical SMILES for 2-methyl-4-methylsulfanylpyrimidine is CSc1ccnc(C)n1.
What is the InChIKey of 2-methyl-4-methylsulfanylpyrimidine?
The InChIKey is PSMFJGXGZDKEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-5-7-4-3-6(8-5)9-2/h3-4H,1-2H3.
What are the key properties of 2-methyl-4-methylsulfanylpyrimidine?
2-methyl-4-methylsulfanylpyrimidine has a molecular weight of 140.21 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylsulfanylpyrimidine is sourced from PubChem (CID 535940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).