4-chloro-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidine

C12H11ClN2OS — CID 63734721

IUPAC4-chloro-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidine
SMILESCSc1ccccc1Oc1ncnc(Cl)c1C
InChIInChI=1S/C12H11ClN2OS/c1-8-11(13)14-7-15-12(8)16-9-5-3-4-6-10(9)17-2/h3-7H,1-2H3
InChIKeyVYYOGWYSXNIICL-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.95
Rot. Bonds3

About 4-chloro-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidine

4-chloro-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidine (PubChem CID 63734721) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidine
PubChem CID63734721
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name4-chloro-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidine
SMILESCSc1ccccc1Oc1ncnc(Cl)c1C
InChIInChI=1S/C12H11ClN2OS/c1-8-11(13)14-7-15-12(8)16-9-5-3-4-6-10(9)17-2/h3-7H,1-2H3
InChIKeyVYYOGWYSXNIICL-UHFFFAOYSA-N
XLogP3.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidine (CID 63734721) is 4-chloro-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidine is CSc1ccccc1Oc1ncnc(Cl)c1C.
What is the InChIKey of 4-chloro-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidine?
The InChIKey is VYYOGWYSXNIICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-8-11(13)14-7-15-12(8)16-9-5-3-4-6-10(9)17-2/h3-7H,1-2H3.
What are the key properties of 4-chloro-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidine?
4-chloro-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidine has a molecular weight of 266.75 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidine is sourced from PubChem (CID 63734721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).