4-(2-fluorophenoxy)-2-methylsulfanylpyrimidine

C11H9FN2OS — CID 11837163

IUPAC4-(2-fluorophenoxy)-2-methylsulfanylpyrimidine
SMILESCSc1nccc(Oc2ccccc2F)n1
InChIInChI=1S/C11H9FN2OS/c1-16-11-13-7-6-10(14-11)15-9-5-3-2-4-8(9)12/h2-7H,1H3
InChIKeyOXHSRLGXNXJBNQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.13
Rot. Bonds3

About 4-(2-fluorophenoxy)-2-methylsulfanylpyrimidine

4-(2-fluorophenoxy)-2-methylsulfanylpyrimidine (PubChem CID 11837163) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-2-methylsulfanylpyrimidine
PubChem CID11837163
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name4-(2-fluorophenoxy)-2-methylsulfanylpyrimidine
SMILESCSc1nccc(Oc2ccccc2F)n1
InChIInChI=1S/C11H9FN2OS/c1-16-11-13-7-6-10(14-11)15-9-5-3-2-4-8(9)12/h2-7H,1H3
InChIKeyOXHSRLGXNXJBNQ-UHFFFAOYSA-N
XLogP3.13
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Chlorophenoxy)-2-(methylsulfanyl)pyrimidine
CID 901073
N,N-diethyl-6-phenoxypyrimidin-4-amine
CID 2055860
2-{[4-(3-Methoxyphenoxy)butyl]thio}pyrimidine
CID 2183582
2-{[2-(4-Methoxyphenoxy)ethyl]thio}pyrimidine
CID 2183617
2-[3-(4-Methoxyphenoxy)propylsulfanyl]pyrimidine
CID 2183703
2-[2-(4-Chlorophenoxy)ethylthio]pyrimidine
CID 2184843
2-{[2-(4-Propoxyphenoxy)ethyl]thio}pyrimidine
CID 2199231
2-{[4-(2-Fluorophenoxy)butyl]thio}pyrimidine
CID 2200018
2-{[2-(2-Phenoxyethoxy)ethyl]thio}pyrimidine
CID 2935739
2-[4-[3-(4-Fluorophenoxy)propyl]piperazin-1-yl]pyrimidine
CID 57396484
4-Methoxy-2-phenoxypyrimidine
CID 824706
2-Chloro-4-fluorophenyl 2-chloro-4-pyrimidinyl ether
CID 1811330

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-2-methylsulfanylpyrimidine?
The IUPAC name of 4-(2-fluorophenoxy)-2-methylsulfanylpyrimidine (CID 11837163) is 4-(2-fluorophenoxy)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-(2-fluorophenoxy)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-(2-fluorophenoxy)-2-methylsulfanylpyrimidine is CSc1nccc(Oc2ccccc2F)n1.
What is the InChIKey of 4-(2-fluorophenoxy)-2-methylsulfanylpyrimidine?
The InChIKey is OXHSRLGXNXJBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/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-fluorophenoxy)-2-methylsulfanylpyrimidine?
4-(2-fluorophenoxy)-2-methylsulfanylpyrimidine has a molecular weight of 236.27 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 11837163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).