4-chloro-5-methyl-6-propylsulfanylpyrimidine

C8H11ClN2S — CID 63728713

IUPAC4-chloro-5-methyl-6-propylsulfanylpyrimidine
SMILESCCCSc1ncnc(Cl)c1C
InChIInChI=1S/C8H11ClN2S/c1-3-4-12-8-6(2)7(9)10-5-11-8/h5H,3-4H2,1-2H3
InChIKeyRFZLKKRYEMKPRZ-UHFFFAOYSA-N
MW202.71 g/mol
LogP2.94
Rot. Bonds3

About 4-chloro-5-methyl-6-propylsulfanylpyrimidine

4-chloro-5-methyl-6-propylsulfanylpyrimidine (PubChem CID 63728713) has the molecular formula C8H11ClN2S and a molecular weight of 202.71 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-propylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-propylsulfanylpyrimidine
PubChem CID63728713
Molecular FormulaC8H11ClN2S
Molecular Weight202.71 g/mol
Exact Mass202.03
IUPAC Name4-chloro-5-methyl-6-propylsulfanylpyrimidine
SMILESCCCSc1ncnc(Cl)c1C
InChIInChI=1S/C8H11ClN2S/c1-3-4-12-8-6(2)7(9)10-5-11-8/h5H,3-4H2,1-2H3
InChIKeyRFZLKKRYEMKPRZ-UHFFFAOYSA-N
XLogP2.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-propylsulfanylpyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-propylsulfanylpyrimidine (CID 63728713) is 4-chloro-5-methyl-6-propylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-propylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-propylsulfanylpyrimidine is CCCSc1ncnc(Cl)c1C.
What is the InChIKey of 4-chloro-5-methyl-6-propylsulfanylpyrimidine?
The InChIKey is RFZLKKRYEMKPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2S/c1-3-4-12-8-6(2)7(9)10-5-11-8/h5H,3-4H2,1-2H3.
What are the key properties of 4-chloro-5-methyl-6-propylsulfanylpyrimidine?
4-chloro-5-methyl-6-propylsulfanylpyrimidine has a molecular weight of 202.71 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-6-propylsulfanylpyrimidine is sourced from PubChem (CID 63728713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).