4-(4-bromo-2-chlorophenoxy)-6-chloro-5-ethylpyrimidine

C12H9BrCl2N2O — CID 63735722

IUPAC4-(4-bromo-2-chlorophenoxy)-6-chloro-5-ethylpyrimidine
SMILESCCc1c(Cl)ncnc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C12H9BrCl2N2O/c1-2-8-11(15)16-6-17-12(8)18-10-4-3-7(13)5-9(10)14/h3-6H,2H2,1H3
InChIKeyVAOQJZVCIVYPKK-UHFFFAOYSA-N
MW348.03 g/mol
LogP4.90
Rot. Bonds3

About 4-(4-bromo-2-chlorophenoxy)-6-chloro-5-ethylpyrimidine

4-(4-bromo-2-chlorophenoxy)-6-chloro-5-ethylpyrimidine (PubChem CID 63735722) has the molecular formula C12H9BrCl2N2O and a molecular weight of 348.03 g/mol. Its IUPAC name is 4-(4-bromo-2-chlorophenoxy)-6-chloro-5-ethylpyrimidine.

Molecular Properties

Compound Name4-(4-bromo-2-chlorophenoxy)-6-chloro-5-ethylpyrimidine
PubChem CID63735722
Molecular FormulaC12H9BrCl2N2O
Molecular Weight348.03 g/mol
Exact Mass345.93
IUPAC Name4-(4-bromo-2-chlorophenoxy)-6-chloro-5-ethylpyrimidine
SMILESCCc1c(Cl)ncnc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C12H9BrCl2N2O/c1-2-8-11(15)16-6-17-12(8)18-10-4-3-7(13)5-9(10)14/h3-6H,2H2,1H3
InChIKeyVAOQJZVCIVYPKK-UHFFFAOYSA-N
XLogP4.90
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.03
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromo-2-propan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine
CID 115401775
6-(4-bromo-2-chlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80882073
4-chloro-6-(2,4-dichlorophenoxy)-5-propylpyrimidine
CID 63735554
4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine
CID 55229669
4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine
CID 63878128
4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine
CID 55228710
6-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
CID 80869748
4-(4-tert-butylphenoxy)-6-chloro-5-ethylpyrimidine
CID 63734002
4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine
CID 55228714
4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine
CID 107089155
[6-(2-chloro-4-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80930789
N-[[6-(4-bromo-2-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321679

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-chlorophenoxy)-6-chloro-5-ethylpyrimidine?
The IUPAC name of 4-(4-bromo-2-chlorophenoxy)-6-chloro-5-ethylpyrimidine (CID 63735722) is 4-(4-bromo-2-chlorophenoxy)-6-chloro-5-ethylpyrimidine.
What is the SMILES notation for 4-(4-bromo-2-chlorophenoxy)-6-chloro-5-ethylpyrimidine?
The canonical SMILES for 4-(4-bromo-2-chlorophenoxy)-6-chloro-5-ethylpyrimidine is CCc1c(Cl)ncnc1Oc1ccc(Br)cc1Cl.
What is the InChIKey of 4-(4-bromo-2-chlorophenoxy)-6-chloro-5-ethylpyrimidine?
The InChIKey is VAOQJZVCIVYPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2O/c1-2-8-11(15)16-6-17-12(8)18-10-4-3-7(13)5-9(10)14/h3-6H,2H2,1H3.
What are the key properties of 4-(4-bromo-2-chlorophenoxy)-6-chloro-5-ethylpyrimidine?
4-(4-bromo-2-chlorophenoxy)-6-chloro-5-ethylpyrimidine has a molecular weight of 348.03 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-chlorophenoxy)-6-chloro-5-ethylpyrimidine is sourced from PubChem (CID 63735722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).