4-ethenylsulfanyl-2,5,6-trimethylpyrimidine

C9H12N2S — CID 168905294

IUPAC4-ethenylsulfanyl-2,5,6-trimethylpyrimidine
SMILESC=CSc1nc(C)nc(C)c1C
InChIInChI=1S/C9H12N2S/c1-5-12-9-6(2)7(3)10-8(4)11-9/h5H,1H2,2-4H3
InChIKeyIOCQSCUIZQDGAC-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.64
Rot. Bonds2

About 4-ethenylsulfanyl-2,5,6-trimethylpyrimidine

4-ethenylsulfanyl-2,5,6-trimethylpyrimidine (PubChem CID 168905294) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 4-ethenylsulfanyl-2,5,6-trimethylpyrimidine.

Molecular Properties

Compound Name4-ethenylsulfanyl-2,5,6-trimethylpyrimidine
PubChem CID168905294
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name4-ethenylsulfanyl-2,5,6-trimethylpyrimidine
SMILESC=CSc1nc(C)nc(C)c1C
InChIInChI=1S/C9H12N2S/c1-5-12-9-6(2)7(3)10-8(4)11-9/h5H,1H2,2-4H3
InChIKeyIOCQSCUIZQDGAC-UHFFFAOYSA-N
XLogP2.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylsulfanyl-2,5,6-trimethylpyrimidine?
The IUPAC name of 4-ethenylsulfanyl-2,5,6-trimethylpyrimidine (CID 168905294) is 4-ethenylsulfanyl-2,5,6-trimethylpyrimidine.
What is the SMILES notation for 4-ethenylsulfanyl-2,5,6-trimethylpyrimidine?
The canonical SMILES for 4-ethenylsulfanyl-2,5,6-trimethylpyrimidine is C=CSc1nc(C)nc(C)c1C.
What is the InChIKey of 4-ethenylsulfanyl-2,5,6-trimethylpyrimidine?
The InChIKey is IOCQSCUIZQDGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-5-12-9-6(2)7(3)10-8(4)11-9/h5H,1H2,2-4H3.
What are the key properties of 4-ethenylsulfanyl-2,5,6-trimethylpyrimidine?
4-ethenylsulfanyl-2,5,6-trimethylpyrimidine has a molecular weight of 180.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylsulfanyl-2,5,6-trimethylpyrimidine is sourced from PubChem (CID 168905294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).