2-chloro-4-(4-methylsulfanylphenoxy)pyrimidine

C11H9ClN2OS — CID 60726000

IUPAC2-chloro-4-(4-methylsulfanylphenoxy)pyrimidine
SMILESCSc1ccc(Oc2ccnc(Cl)n2)cc1
InChIInChI=1S/C11H9ClN2OS/c1-16-9-4-2-8(3-5-9)15-10-6-7-13-11(12)14-10/h2-7H,1H3
InChIKeyJXAMDXFASRURTL-UHFFFAOYSA-N
MW252.73 g/mol
LogP3.64
Rot. Bonds3

About 2-chloro-4-(4-methylsulfanylphenoxy)pyrimidine

2-chloro-4-(4-methylsulfanylphenoxy)pyrimidine (PubChem CID 60726000) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is 2-chloro-4-(4-methylsulfanylphenoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4-methylsulfanylphenoxy)pyrimidine
PubChem CID60726000
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name2-chloro-4-(4-methylsulfanylphenoxy)pyrimidine
SMILESCSc1ccc(Oc2ccnc(Cl)n2)cc1
InChIInChI=1S/C11H9ClN2OS/c1-16-9-4-2-8(3-5-9)15-10-6-7-13-11(12)14-10/h2-7H,1H3
InChIKeyJXAMDXFASRURTL-UHFFFAOYSA-N
XLogP3.64
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methylsulfanylphenoxy)pyrimidine?
The IUPAC name of 2-chloro-4-(4-methylsulfanylphenoxy)pyrimidine (CID 60726000) is 2-chloro-4-(4-methylsulfanylphenoxy)pyrimidine.
What is the SMILES notation for 2-chloro-4-(4-methylsulfanylphenoxy)pyrimidine?
The canonical SMILES for 2-chloro-4-(4-methylsulfanylphenoxy)pyrimidine is CSc1ccc(Oc2ccnc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-4-(4-methylsulfanylphenoxy)pyrimidine?
The InChIKey is JXAMDXFASRURTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c1-16-9-4-2-8(3-5-9)15-10-6-7-13-11(12)14-10/h2-7H,1H3.
What are the key properties of 2-chloro-4-(4-methylsulfanylphenoxy)pyrimidine?
2-chloro-4-(4-methylsulfanylphenoxy)pyrimidine has a molecular weight of 252.73 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methylsulfanylphenoxy)pyrimidine is sourced from PubChem (CID 60726000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).