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

C16H19BrN2O2 — CID 107664626

IUPAC4-bromo-6-(4-ethyl-2-methoxyphenoxy)-2-propylpyrimidine
SMILESCCCc1nc(Br)cc(Oc2ccc(CC)cc2OC)n1
InChIInChI=1S/C16H19BrN2O2/c1-4-6-15-18-14(17)10-16(19-15)21-12-8-7-11(5-2)9-13(12)20-3/h7-10H,4-6H2,1-3H3
InChIKeyGXUVGHWKSAEUEY-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.55
Rot. Bonds6

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

4-bromo-6-(4-ethyl-2-methoxyphenoxy)-2-propylpyrimidine (PubChem CID 107664626) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 4-bromo-6-(4-ethyl-2-methoxyphenoxy)-2-propylpyrimidine.

Molecular Properties

Compound Name4-bromo-6-(4-ethyl-2-methoxyphenoxy)-2-propylpyrimidine
PubChem CID107664626
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name4-bromo-6-(4-ethyl-2-methoxyphenoxy)-2-propylpyrimidine
SMILESCCCc1nc(Br)cc(Oc2ccc(CC)cc2OC)n1
InChIInChI=1S/C16H19BrN2O2/c1-4-6-15-18-14(17)10-16(19-15)21-12-8-7-11(5-2)9-13(12)20-3/h7-10H,4-6H2,1-3H3
InChIKeyGXUVGHWKSAEUEY-UHFFFAOYSA-N
XLogP4.55
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-ethyl-6-(4-ethyl-2-methoxyphenoxy)pyrimidine
CID 107664625
[4-(6-chloro-2-propylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107742985
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
6-(2-bromo-4-methoxyphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 104708809
N-butyl-6-(4-ethyl-2-methoxyphenoxy)pyridin-2-amine
CID 24786193
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
1-[6-(4-ethyl-2-methoxyphenoxy)-2-methyl-3-pyridinyl]-N-methylmethanamine
CID 107668273
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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(4-ethyl-2-methoxyphenoxy)-2-propylpyrimidine?
The IUPAC name of 4-bromo-6-(4-ethyl-2-methoxyphenoxy)-2-propylpyrimidine (CID 107664626) is 4-bromo-6-(4-ethyl-2-methoxyphenoxy)-2-propylpyrimidine.
What is the SMILES notation for 4-bromo-6-(4-ethyl-2-methoxyphenoxy)-2-propylpyrimidine?
The canonical SMILES for 4-bromo-6-(4-ethyl-2-methoxyphenoxy)-2-propylpyrimidine is CCCc1nc(Br)cc(Oc2ccc(CC)cc2OC)n1.
What is the InChIKey of 4-bromo-6-(4-ethyl-2-methoxyphenoxy)-2-propylpyrimidine?
The InChIKey is GXUVGHWKSAEUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-4-6-15-18-14(17)10-16(19-15)21-12-8-7-11(5-2)9-13(12)20-3/h7-10H,4-6H2,1-3H3.
What are the key properties of 4-bromo-6-(4-ethyl-2-methoxyphenoxy)-2-propylpyrimidine?
4-bromo-6-(4-ethyl-2-methoxyphenoxy)-2-propylpyrimidine has a molecular weight of 351.24 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(4-ethyl-2-methoxyphenoxy)-2-propylpyrimidine is sourced from PubChem (CID 107664626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).