5-ethyl-4-methylsulfanylpyrimidine

C7H10N2S — CID 129266399

IUPAC5-ethyl-4-methylsulfanylpyrimidine
SMILESCCc1cncnc1SC
InChIInChI=1S/C7H10N2S/c1-3-6-4-8-5-9-7(6)10-2/h4-5H,3H2,1-2H3
InChIKeyBMIDXYOBKYLSDF-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.76
Rot. Bonds2

About 5-ethyl-4-methylsulfanylpyrimidine

5-ethyl-4-methylsulfanylpyrimidine (PubChem CID 129266399) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 5-ethyl-4-methylsulfanylpyrimidine.

Molecular Properties

Compound Name5-ethyl-4-methylsulfanylpyrimidine
PubChem CID129266399
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name5-ethyl-4-methylsulfanylpyrimidine
SMILESCCc1cncnc1SC
InChIInChI=1S/C7H10N2S/c1-3-6-4-8-5-9-7(6)10-2/h4-5H,3H2,1-2H3
InChIKeyBMIDXYOBKYLSDF-UHFFFAOYSA-N
XLogP1.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methylsulfanylpyrimidine?
The IUPAC name of 5-ethyl-4-methylsulfanylpyrimidine (CID 129266399) is 5-ethyl-4-methylsulfanylpyrimidine.
What is the SMILES notation for 5-ethyl-4-methylsulfanylpyrimidine?
The canonical SMILES for 5-ethyl-4-methylsulfanylpyrimidine is CCc1cncnc1SC.
What is the InChIKey of 5-ethyl-4-methylsulfanylpyrimidine?
The InChIKey is BMIDXYOBKYLSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-3-6-4-8-5-9-7(6)10-2/h4-5H,3H2,1-2H3.
What are the key properties of 5-ethyl-4-methylsulfanylpyrimidine?
5-ethyl-4-methylsulfanylpyrimidine has a molecular weight of 154.24 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methylsulfanylpyrimidine is sourced from PubChem (CID 129266399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).