4-bromo-2-ethyl-6-(4-ethyl-2-methoxyphenoxy)pyrimidine

C15H17BrN2O2 — CID 107664625

IUPAC4-bromo-2-ethyl-6-(4-ethyl-2-methoxyphenoxy)pyrimidine
SMILESCCc1ccc(Oc2cc(Br)nc(CC)n2)c(OC)c1
InChIInChI=1S/C15H17BrN2O2/c1-4-10-6-7-11(12(8-10)19-3)20-15-9-13(16)17-14(5-2)18-15/h6-9H,4-5H2,1-3H3
InChIKeyHSWULXJALVNIIK-UHFFFAOYSA-N
MW337.22 g/mol
LogP4.16
Rot. Bonds5

About 4-bromo-2-ethyl-6-(4-ethyl-2-methoxyphenoxy)pyrimidine

4-bromo-2-ethyl-6-(4-ethyl-2-methoxyphenoxy)pyrimidine (PubChem CID 107664625) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 4-bromo-2-ethyl-6-(4-ethyl-2-methoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name4-bromo-2-ethyl-6-(4-ethyl-2-methoxyphenoxy)pyrimidine
PubChem CID107664625
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name4-bromo-2-ethyl-6-(4-ethyl-2-methoxyphenoxy)pyrimidine
SMILESCCc1ccc(Oc2cc(Br)nc(CC)n2)c(OC)c1
InChIInChI=1S/C15H17BrN2O2/c1-4-10-6-7-11(12(8-10)19-3)20-15-9-13(16)17-14(5-2)18-15/h6-9H,4-5H2,1-3H3
InChIKeyHSWULXJALVNIIK-UHFFFAOYSA-N
XLogP4.16
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-6-(4-ethyl-2-methoxyphenoxy)-2-propylpyrimidine
CID 107664626
4-chloro-6-(4-ethyl-2-methoxyphenoxy)-2-(methoxymethyl)pyrimidine
CID 107664612
[2-(4-ethyl-2-methoxyphenoxy)-6-methyl-4-pyridinyl]methanamine
CID 107663652
[6-(4-ethyl-2-methoxyphenoxy)pyrazin-2-yl]methanamine
CID 107668249
[2-ethyl-6-(2-methoxy-4-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 80940996
2-ethyl-6-(2-methoxyphenoxy)pyrimidin-4-amine
CID 80941255
1-[6-(4-ethyl-2-methoxyphenoxy)-2-methyl-3-pyridinyl]-N-methylmethanamine
CID 107668273
6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-amine
CID 80937801
1-[6-(4-ethyl-2-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 107666919
3-bromo-5-chloro-2-(4-ethyl-2-methoxyphenoxy)pyridine
CID 107667632
2-(4-ethyl-2-methoxyphenoxy)-5-methylpyridin-4-amine
CID 107663796
[4-(6-chloro-2-propylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107742985

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-6-(4-ethyl-2-methoxyphenoxy)pyrimidine?
The IUPAC name of 4-bromo-2-ethyl-6-(4-ethyl-2-methoxyphenoxy)pyrimidine (CID 107664625) is 4-bromo-2-ethyl-6-(4-ethyl-2-methoxyphenoxy)pyrimidine.
What is the SMILES notation for 4-bromo-2-ethyl-6-(4-ethyl-2-methoxyphenoxy)pyrimidine?
The canonical SMILES for 4-bromo-2-ethyl-6-(4-ethyl-2-methoxyphenoxy)pyrimidine is CCc1ccc(Oc2cc(Br)nc(CC)n2)c(OC)c1.
What is the InChIKey of 4-bromo-2-ethyl-6-(4-ethyl-2-methoxyphenoxy)pyrimidine?
The InChIKey is HSWULXJALVNIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-4-10-6-7-11(12(8-10)19-3)20-15-9-13(16)17-14(5-2)18-15/h6-9H,4-5H2,1-3H3.
What are the key properties of 4-bromo-2-ethyl-6-(4-ethyl-2-methoxyphenoxy)pyrimidine?
4-bromo-2-ethyl-6-(4-ethyl-2-methoxyphenoxy)pyrimidine has a molecular weight of 337.22 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-6-(4-ethyl-2-methoxyphenoxy)pyrimidine is sourced from PubChem (CID 107664625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).