4-chloro-6-ethylsulfanyl-2,5-dimethylpyrimidine

C8H11ClN2S — CID 63728557

IUPAC4-chloro-6-ethylsulfanyl-2,5-dimethylpyrimidine
SMILESCCSc1nc(C)nc(Cl)c1C
InChIInChI=1S/C8H11ClN2S/c1-4-12-8-5(2)7(9)10-6(3)11-8/h4H2,1-3H3
InChIKeyGMRVPBKIHJHIDP-UHFFFAOYSA-N
MW202.71 g/mol
LogP2.86
Rot. Bonds2

About 4-chloro-6-ethylsulfanyl-2,5-dimethylpyrimidine

4-chloro-6-ethylsulfanyl-2,5-dimethylpyrimidine (PubChem CID 63728557) has the molecular formula C8H11ClN2S and a molecular weight of 202.71 g/mol. Its IUPAC name is 4-chloro-6-ethylsulfanyl-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethylsulfanyl-2,5-dimethylpyrimidine
PubChem CID63728557
Molecular FormulaC8H11ClN2S
Molecular Weight202.71 g/mol
Exact Mass202.03
IUPAC Name4-chloro-6-ethylsulfanyl-2,5-dimethylpyrimidine
SMILESCCSc1nc(C)nc(Cl)c1C
InChIInChI=1S/C8H11ClN2S/c1-4-12-8-5(2)7(9)10-6(3)11-8/h4H2,1-3H3
InChIKeyGMRVPBKIHJHIDP-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethylsulfanyl-2,5-dimethylpyrimidine?
The IUPAC name of 4-chloro-6-ethylsulfanyl-2,5-dimethylpyrimidine (CID 63728557) is 4-chloro-6-ethylsulfanyl-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-6-ethylsulfanyl-2,5-dimethylpyrimidine?
The canonical SMILES for 4-chloro-6-ethylsulfanyl-2,5-dimethylpyrimidine is CCSc1nc(C)nc(Cl)c1C.
What is the InChIKey of 4-chloro-6-ethylsulfanyl-2,5-dimethylpyrimidine?
The InChIKey is GMRVPBKIHJHIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2S/c1-4-12-8-5(2)7(9)10-6(3)11-8/h4H2,1-3H3.
What are the key properties of 4-chloro-6-ethylsulfanyl-2,5-dimethylpyrimidine?
4-chloro-6-ethylsulfanyl-2,5-dimethylpyrimidine has a molecular weight of 202.71 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethylsulfanyl-2,5-dimethylpyrimidine is sourced from PubChem (CID 63728557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).