6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-amine

C13H13Br2N3O2 — CID 80937801

IUPAC6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(Oc2cc(Br)c(OC)cc2Br)n1
InChIInChI=1S/C13H13Br2N3O2/c1-3-12-17-11(16)6-13(18-12)20-10-5-7(14)9(19-2)4-8(10)15/h4-6H,3H2,1-2H3,(H2,16,17,18)
InChIKeyGTANLRNKUVZBSE-UHFFFAOYSA-N
MW403.07 g/mol
LogP3.95
Rot. Bonds4

About 6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-amine

6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-amine (PubChem CID 80937801) has the molecular formula C13H13Br2N3O2 and a molecular weight of 403.07 g/mol. Its IUPAC name is 6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-amine
PubChem CID80937801
Molecular FormulaC13H13Br2N3O2
Molecular Weight403.07 g/mol
Exact Mass400.94
IUPAC Name6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(Oc2cc(Br)c(OC)cc2Br)n1
InChIInChI=1S/C13H13Br2N3O2/c1-3-12-17-11(16)6-13(18-12)20-10-5-7(14)9(19-2)4-8(10)15/h4-6H,3H2,1-2H3,(H2,16,17,18)
InChIKeyGTANLRNKUVZBSE-UHFFFAOYSA-N
XLogP3.95
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.07
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80938302
2-ethyl-6-(2-methoxyphenoxy)pyrimidin-4-amine
CID 80941255
6-(2-bromo-4-chlorophenoxy)-2-ethylpyrimidin-4-amine
CID 80941349
2-ethyl-6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine
CID 80938897
6-(2-butan-2-ylphenoxy)-2-ethylpyrimidin-4-amine
CID 80941065
6-(2-bromo-4-fluorophenoxy)-2-propylpyrimidin-4-amine
CID 80949844
2-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80941059
6-(4-bromo-2,5-dichlorophenoxy)-2-(methoxymethyl)pyrimidin-4-amine
CID 107662690
[6-(2,5-dibromo-4-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80924928
6-bromo-2-ethylpyrimidin-4-amine
CID 45094626
4-bromo-2-ethyl-6-(4-ethyl-2-methoxyphenoxy)pyrimidine
CID 107664625
[6-(2-bromo-4-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80940833

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-amine?
The IUPAC name of 6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-amine (CID 80937801) is 6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-amine is CCc1nc(N)cc(Oc2cc(Br)c(OC)cc2Br)n1.
What is the InChIKey of 6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-amine?
The InChIKey is GTANLRNKUVZBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2N3O2/c1-3-12-17-11(16)6-13(18-12)20-10-5-7(14)9(19-2)4-8(10)15/h4-6H,3H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-amine?
6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-amine has a molecular weight of 403.07 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-amine is sourced from PubChem (CID 80937801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).