4-(4-bromo-3,5-dimethylphenoxy)-6-chloro-5-propylpyrimidine

C15H16BrClN2O — CID 107723178

IUPAC4-(4-bromo-3,5-dimethylphenoxy)-6-chloro-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1Oc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H16BrClN2O/c1-4-5-12-14(17)18-8-19-15(12)20-11-6-9(2)13(16)10(3)7-11/h6-8H,4-5H2,1-3H3
InChIKeyRWAXNVJTDZDWHV-UHFFFAOYSA-N
MW355.66 g/mol
LogP5.25
Rot. Bonds4

About 4-(4-bromo-3,5-dimethylphenoxy)-6-chloro-5-propylpyrimidine

4-(4-bromo-3,5-dimethylphenoxy)-6-chloro-5-propylpyrimidine (PubChem CID 107723178) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethylphenoxy)-6-chloro-5-propylpyrimidine.

Molecular Properties

Compound Name4-(4-bromo-3,5-dimethylphenoxy)-6-chloro-5-propylpyrimidine
PubChem CID107723178
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC Name4-(4-bromo-3,5-dimethylphenoxy)-6-chloro-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1Oc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H16BrClN2O/c1-4-5-12-14(17)18-8-19-15(12)20-11-6-9(2)13(16)10(3)7-11/h6-8H,4-5H2,1-3H3
InChIKeyRWAXNVJTDZDWHV-UHFFFAOYSA-N
XLogP5.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.66
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromo-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 107727376
6-(4-chloro-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 80874729
4-chloro-6-(4-fluorophenoxy)-5-propylpyrimidine
CID 63734172
4-chloro-6-(2,4-dichlorophenoxy)-5-propylpyrimidine
CID 63735554
4-(4-bromo-3,5-dimethylphenoxy)-6-propoxypyrimidin-5-amine
CID 107722498
4-chloro-6-(2,5-dichlorophenoxy)-5-propylpyrimidine
CID 63735881
4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine
CID 55228714
4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine
CID 63734858
6-(4-bromo-3,5-dimethylphenoxy)-N-ethyl-5-methoxypyrimidin-4-amine
CID 107727389
2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-5,6-dimethylpyrazine
CID 107723105
4-chloro-6-(2-methylbutan-2-yloxy)-5-propylpyrimidine
CID 63736397
4-chloro-6-(2-methylsulfanylphenoxy)-5-propylpyrimidine
CID 63734722

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-dimethylphenoxy)-6-chloro-5-propylpyrimidine?
The IUPAC name of 4-(4-bromo-3,5-dimethylphenoxy)-6-chloro-5-propylpyrimidine (CID 107723178) is 4-(4-bromo-3,5-dimethylphenoxy)-6-chloro-5-propylpyrimidine.
What is the SMILES notation for 4-(4-bromo-3,5-dimethylphenoxy)-6-chloro-5-propylpyrimidine?
The canonical SMILES for 4-(4-bromo-3,5-dimethylphenoxy)-6-chloro-5-propylpyrimidine is CCCc1c(Cl)ncnc1Oc1cc(C)c(Br)c(C)c1.
What is the InChIKey of 4-(4-bromo-3,5-dimethylphenoxy)-6-chloro-5-propylpyrimidine?
The InChIKey is RWAXNVJTDZDWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-4-5-12-14(17)18-8-19-15(12)20-11-6-9(2)13(16)10(3)7-11/h6-8H,4-5H2,1-3H3.
What are the key properties of 4-(4-bromo-3,5-dimethylphenoxy)-6-chloro-5-propylpyrimidine?
4-(4-bromo-3,5-dimethylphenoxy)-6-chloro-5-propylpyrimidine has a molecular weight of 355.66 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3,5-dimethylphenoxy)-6-chloro-5-propylpyrimidine is sourced from PubChem (CID 107723178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).