4-(3-bromo-4-fluorophenoxy)-6-chloro-5-propan-2-ylpyrimidine

C13H11BrClFN2O — CID 83232893

IUPAC4-(3-bromo-4-fluorophenoxy)-6-chloro-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)ncnc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C13H11BrClFN2O/c1-7(2)11-12(15)17-6-18-13(11)19-8-3-4-10(16)9(14)5-8/h3-7H,1-2H3
InChIKeyJHKIQJPUBDZJLC-UHFFFAOYSA-N
MW345.60 g/mol
LogP4.95
Rot. Bonds3

About 4-(3-bromo-4-fluorophenoxy)-6-chloro-5-propan-2-ylpyrimidine

4-(3-bromo-4-fluorophenoxy)-6-chloro-5-propan-2-ylpyrimidine (PubChem CID 83232893) has the molecular formula C13H11BrClFN2O and a molecular weight of 345.60 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenoxy)-6-chloro-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenoxy)-6-chloro-5-propan-2-ylpyrimidine
PubChem CID83232893
Molecular FormulaC13H11BrClFN2O
Molecular Weight345.60 g/mol
Exact Mass343.97
IUPAC Name4-(3-bromo-4-fluorophenoxy)-6-chloro-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)ncnc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C13H11BrClFN2O/c1-7(2)11-12(15)17-6-18-13(11)19-8-3-4-10(16)9(14)5-8/h3-7H,1-2H3
InChIKeyJHKIQJPUBDZJLC-UHFFFAOYSA-N
XLogP4.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.60
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(3-bromo-4-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 83238473
4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine
CID 63734173
4-chloro-6-(3-fluoro-4-nitrophenoxy)-5-propan-2-ylpyrimidine
CID 63734023
4-chloro-6-(3-methylphenoxy)-5-propan-2-ylpyrimidine
CID 63736411
4-chloro-6-(2,5-dichlorophenoxy)-5-propan-2-ylpyrimidine
CID 55229855
6-(3-chloro-4-fluorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80876057
2-(3-bromo-4-fluorophenoxy)-3-chloropyridine
CID 83234949
5-bromo-4-(3-bromo-4-fluorophenoxy)pyrimidine
CID 83235339
4-(3-bromo-4-fluorophenoxy)-6-ethoxypyrimidin-5-amine
CID 83232697
4-(4-butylphenoxy)-6-chloro-5-propan-2-ylpyrimidine
CID 115492542
4-chloro-6-(2,6-dimethoxyphenoxy)-5-propan-2-ylpyrimidine
CID 63736223
4-chloro-6-(2,4-dimethylphenoxy)-5-propan-2-ylpyrimidine
CID 63736592

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenoxy)-6-chloro-5-propan-2-ylpyrimidine?
The IUPAC name of 4-(3-bromo-4-fluorophenoxy)-6-chloro-5-propan-2-ylpyrimidine (CID 83232893) is 4-(3-bromo-4-fluorophenoxy)-6-chloro-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-(3-bromo-4-fluorophenoxy)-6-chloro-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-(3-bromo-4-fluorophenoxy)-6-chloro-5-propan-2-ylpyrimidine is CC(C)c1c(Cl)ncnc1Oc1ccc(F)c(Br)c1.
What is the InChIKey of 4-(3-bromo-4-fluorophenoxy)-6-chloro-5-propan-2-ylpyrimidine?
The InChIKey is JHKIQJPUBDZJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClFN2O/c1-7(2)11-12(15)17-6-18-13(11)19-8-3-4-10(16)9(14)5-8/h3-7H,1-2H3.
What are the key properties of 4-(3-bromo-4-fluorophenoxy)-6-chloro-5-propan-2-ylpyrimidine?
4-(3-bromo-4-fluorophenoxy)-6-chloro-5-propan-2-ylpyrimidine has a molecular weight of 345.60 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenoxy)-6-chloro-5-propan-2-ylpyrimidine is sourced from PubChem (CID 83232893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).