5-chloro-4-ethyl-2-methyl-6-methylsulfanylpyrimidine

C8H11ClN2S — CID 18711496

IUPAC5-chloro-4-ethyl-2-methyl-6-methylsulfanylpyrimidine
SMILESCCc1nc(C)nc(SC)c1Cl
InChIInChI=1S/C8H11ClN2S/c1-4-6-7(9)8(12-3)11-5(2)10-6/h4H2,1-3H3
InChIKeyAHYXCGBFBLXSOB-UHFFFAOYSA-N
MW202.71 g/mol
LogP2.72
Rot. Bonds2

About 5-chloro-4-ethyl-2-methyl-6-methylsulfanylpyrimidine

5-chloro-4-ethyl-2-methyl-6-methylsulfanylpyrimidine (PubChem CID 18711496) has the molecular formula C8H11ClN2S and a molecular weight of 202.71 g/mol. Its IUPAC name is 5-chloro-4-ethyl-2-methyl-6-methylsulfanylpyrimidine.

Molecular Properties

Compound Name5-chloro-4-ethyl-2-methyl-6-methylsulfanylpyrimidine
PubChem CID18711496
Molecular FormulaC8H11ClN2S
Molecular Weight202.71 g/mol
Exact Mass202.03
IUPAC Name5-chloro-4-ethyl-2-methyl-6-methylsulfanylpyrimidine
SMILESCCc1nc(C)nc(SC)c1Cl
InChIInChI=1S/C8H11ClN2S/c1-4-6-7(9)8(12-3)11-5(2)10-6/h4H2,1-3H3
InChIKeyAHYXCGBFBLXSOB-UHFFFAOYSA-N
XLogP2.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethyl-2-methyl-6-methylsulfanylpyrimidine?
The IUPAC name of 5-chloro-4-ethyl-2-methyl-6-methylsulfanylpyrimidine (CID 18711496) is 5-chloro-4-ethyl-2-methyl-6-methylsulfanylpyrimidine.
What is the SMILES notation for 5-chloro-4-ethyl-2-methyl-6-methylsulfanylpyrimidine?
The canonical SMILES for 5-chloro-4-ethyl-2-methyl-6-methylsulfanylpyrimidine is CCc1nc(C)nc(SC)c1Cl.
What is the InChIKey of 5-chloro-4-ethyl-2-methyl-6-methylsulfanylpyrimidine?
The InChIKey is AHYXCGBFBLXSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2S/c1-4-6-7(9)8(12-3)11-5(2)10-6/h4H2,1-3H3.
What are the key properties of 5-chloro-4-ethyl-2-methyl-6-methylsulfanylpyrimidine?
5-chloro-4-ethyl-2-methyl-6-methylsulfanylpyrimidine has a molecular weight of 202.71 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethyl-2-methyl-6-methylsulfanylpyrimidine is sourced from PubChem (CID 18711496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).