4-(2-chlorophenoxy)-2-methylsulfanylpyrimidine

C11H9ClN2OS — CID 901073

IUPAC4-(2-chlorophenoxy)-2-methylsulfanylpyrimidine
SMILESCSc1nccc(Oc2ccccc2Cl)n1
InChIInChI=1S/C11H9ClN2OS/c1-16-11-13-7-6-10(14-11)15-9-5-3-2-4-8(9)12/h2-7H,1H3
InChIKeyTVSUNIJSWZFARR-UHFFFAOYSA-N
MW252.73 g/mol
LogP3.64
Rot. Bonds3

About 4-(2-chlorophenoxy)-2-methylsulfanylpyrimidine

4-(2-chlorophenoxy)-2-methylsulfanylpyrimidine (PubChem CID 901073) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-2-methylsulfanylpyrimidine
PubChem CID901073
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name4-(2-chlorophenoxy)-2-methylsulfanylpyrimidine
SMILESCSc1nccc(Oc2ccccc2Cl)n1
InChIInChI=1S/C11H9ClN2OS/c1-16-11-13-7-6-10(14-11)15-9-5-3-2-4-8(9)12/h2-7H,1H3
InChIKeyTVSUNIJSWZFARR-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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Related Compounds

Pyrimidine, 4-chloro-6-(4-chlorophenoxy)-
CID 3079025
2-{[2-(4-Methoxyphenoxy)ethyl]thio}pyrimidine
CID 2183617
2-[2-(4-Chlorophenoxy)ethylthio]pyrimidine
CID 2184843
2-Chloro-4-fluorophenyl 2-chloro-4-pyrimidinyl ether
CID 1811330
4-Chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine
CID 11230678
4-Chloro-6-phenoxypyrimidine
CID 11593677
2-{[4-(4-Chlorophenoxy)butyl]thio}pyrimidine
CID 2183668
2-(2-Chloro-4-fluorophenoxy)pyrimidine
CID 8852553
2,5-Dichloro-4-phenoxypyrimidine
CID 12875050
2-Chloro-5-methyl-4-phenoxypyrimidine
CID 59868882
3-Chlorophenyl 2-pyrimidinyl ether
CID 1211468
4-Chloro-6-(4-fluorophenoxy)pyrimidine
CID 3469285

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-2-methylsulfanylpyrimidine?
The IUPAC name of 4-(2-chlorophenoxy)-2-methylsulfanylpyrimidine (CID 901073) is 4-(2-chlorophenoxy)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-(2-chlorophenoxy)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-(2-chlorophenoxy)-2-methylsulfanylpyrimidine is CSc1nccc(Oc2ccccc2Cl)n1.
What is the InChIKey of 4-(2-chlorophenoxy)-2-methylsulfanylpyrimidine?
The InChIKey is TVSUNIJSWZFARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c1-16-11-13-7-6-10(14-11)15-9-5-3-2-4-8(9)12/h2-7H,1H3.
What are the key properties of 4-(2-chlorophenoxy)-2-methylsulfanylpyrimidine?
4-(2-chlorophenoxy)-2-methylsulfanylpyrimidine 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 4-(2-chlorophenoxy)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 901073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).