4-chloro-6-(4-fluoro-2-methylphenoxy)pyrimidine

C11H8ClFN2O — CID 24715723

IUPAC4-chloro-6-(4-fluoro-2-methylphenoxy)pyrimidine
SMILESCc1cc(F)ccc1Oc1cc(Cl)ncn1
InChIInChI=1S/C11H8ClFN2O/c1-7-4-8(13)2-3-9(7)16-11-5-10(12)14-6-15-11/h2-6H,1H3
InChIKeyVMURVMNMUOBANA-UHFFFAOYSA-N
MW238.65 g/mol
LogP3.37
Rot. Bonds2

About 4-chloro-6-(4-fluoro-2-methylphenoxy)pyrimidine

4-chloro-6-(4-fluoro-2-methylphenoxy)pyrimidine (PubChem CID 24715723) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is 4-chloro-6-(4-fluoro-2-methylphenoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-fluoro-2-methylphenoxy)pyrimidine
PubChem CID24715723
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name4-chloro-6-(4-fluoro-2-methylphenoxy)pyrimidine
SMILESCc1cc(F)ccc1Oc1cc(Cl)ncn1
InChIInChI=1S/C11H8ClFN2O/c1-7-4-8(13)2-3-9(7)16-11-5-10(12)14-6-15-11/h2-6H,1H3
InChIKeyVMURVMNMUOBANA-UHFFFAOYSA-N
XLogP3.37
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxy-6-(2-prop-2-enylphenoxy)pyrimidine-2-ylamine
CID 686101
4-(2,5-Dimethylphenoxy)-6-fluoropyrimidin-2-amine
CID 695400
4-Chloro-6-(2-fluorophenoxy)pyrimidin-2-amine
CID 683987
4,6-Dichloro-5-(4-methoxybenzyl)pyrimidine
CID 578730
Pyrimidine, 4-chloro-6-(4-chlorophenoxy)-
CID 3079025
2-Amino-4-(p-ethylphenoxy)-6-chloropyrimidine
CID 815741
6-[2-(4-fluorophenyl)ethoxy]-N,N-dimethylpyrimidin-4-amine
CID 166628299
4-(2-Allylphenoxy)-6-fluoro-2-pyrimidinamine
CID 741056
2-Chloro-4-fluorophenyl 2-chloro-4-pyrimidinyl ether
CID 1811330
4-Chloro-6-(4-propyl-phenoxy)-pyrimidin-2-ylamine
CID 702419
4-Chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine
CID 11230678
4-Chloro-6-phenoxypyrimidine
CID 11593677

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-fluoro-2-methylphenoxy)pyrimidine?
The IUPAC name of 4-chloro-6-(4-fluoro-2-methylphenoxy)pyrimidine (CID 24715723) is 4-chloro-6-(4-fluoro-2-methylphenoxy)pyrimidine.
What is the SMILES notation for 4-chloro-6-(4-fluoro-2-methylphenoxy)pyrimidine?
The canonical SMILES for 4-chloro-6-(4-fluoro-2-methylphenoxy)pyrimidine is Cc1cc(F)ccc1Oc1cc(Cl)ncn1.
What is the InChIKey of 4-chloro-6-(4-fluoro-2-methylphenoxy)pyrimidine?
The InChIKey is VMURVMNMUOBANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c1-7-4-8(13)2-3-9(7)16-11-5-10(12)14-6-15-11/h2-6H,1H3.
What are the key properties of 4-chloro-6-(4-fluoro-2-methylphenoxy)pyrimidine?
4-chloro-6-(4-fluoro-2-methylphenoxy)pyrimidine has a molecular weight of 238.65 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-fluoro-2-methylphenoxy)pyrimidine is sourced from PubChem (CID 24715723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).