4-(4-bromo-2-propan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine

C15H16BrClN2O — CID 115401775

IUPAC4-(4-bromo-2-propan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine
SMILESCCc1c(Cl)ncnc1Oc1ccc(Br)cc1C(C)C
InChIInChI=1S/C15H16BrClN2O/c1-4-11-14(17)18-8-19-15(11)20-13-6-5-10(16)7-12(13)9(2)3/h5-9H,4H2,1-3H3
InChIKeyMHPPNAKCUZTUFC-UHFFFAOYSA-N
MW355.66 g/mol
LogP5.37
Rot. Bonds4

About 4-(4-bromo-2-propan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine

4-(4-bromo-2-propan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine (PubChem CID 115401775) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is 4-(4-bromo-2-propan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine.

Molecular Properties

Compound Name4-(4-bromo-2-propan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine
PubChem CID115401775
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC Name4-(4-bromo-2-propan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine
SMILESCCc1c(Cl)ncnc1Oc1ccc(Br)cc1C(C)C
InChIInChI=1S/C15H16BrClN2O/c1-4-11-14(17)18-8-19-15(11)20-13-6-5-10(16)7-12(13)9(2)3/h5-9H,4H2,1-3H3
InChIKeyMHPPNAKCUZTUFC-UHFFFAOYSA-N
XLogP5.37
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 ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromo-2-chlorophenoxy)-6-chloro-5-ethylpyrimidine
CID 63735722
6-(4-bromo-2-chlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80882073
2-(4-bromo-2-propan-2-ylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine
CID 115401784
4-chloro-5-ethyl-6-(2-ethylphenoxy)pyrimidine
CID 55229669
[6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine
CID 115402665
3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 115402194
4-(4-butan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine
CID 107664579
4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine
CID 55228710
4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine
CID 113302886
4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine
CID 107089155
2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 113302880
3-(4-bromo-2-propan-2-ylphenoxy)-2,5-dimethylpyrazine
CID 113302971

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-propan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine?
The IUPAC name of 4-(4-bromo-2-propan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine (CID 115401775) is 4-(4-bromo-2-propan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine.
What is the SMILES notation for 4-(4-bromo-2-propan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine?
The canonical SMILES for 4-(4-bromo-2-propan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine is CCc1c(Cl)ncnc1Oc1ccc(Br)cc1C(C)C.
What is the InChIKey of 4-(4-bromo-2-propan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine?
The InChIKey is MHPPNAKCUZTUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-4-11-14(17)18-8-19-15(11)20-13-6-5-10(16)7-12(13)9(2)3/h5-9H,4H2,1-3H3.
What are the key properties of 4-(4-bromo-2-propan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine?
4-(4-bromo-2-propan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine has a molecular weight of 355.66 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-propan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine is sourced from PubChem (CID 115401775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).