6-(4-bromo-3,5-dimethylphenoxy)-N-ethyl-5-methoxypyrimidin-4-amine

C15H18BrN3O2 — CID 107727389

IUPAC6-(4-bromo-3,5-dimethylphenoxy)-N-ethyl-5-methoxypyrimidin-4-amine
SMILESCCNc1ncnc(Oc2cc(C)c(Br)c(C)c2)c1OC
InChIInChI=1S/C15H18BrN3O2/c1-5-17-14-13(20-4)15(19-8-18-14)21-11-6-9(2)12(16)10(3)7-11/h6-8H,5H2,1-4H3,(H,17,18,19)
InChIKeyFLDOSUVNYDRPEM-UHFFFAOYSA-N
MW352.23 g/mol
LogP4.09
Rot. Bonds5

About 6-(4-bromo-3,5-dimethylphenoxy)-N-ethyl-5-methoxypyrimidin-4-amine

6-(4-bromo-3,5-dimethylphenoxy)-N-ethyl-5-methoxypyrimidin-4-amine (PubChem CID 107727389) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 6-(4-bromo-3,5-dimethylphenoxy)-N-ethyl-5-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromo-3,5-dimethylphenoxy)-N-ethyl-5-methoxypyrimidin-4-amine
PubChem CID107727389
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name6-(4-bromo-3,5-dimethylphenoxy)-N-ethyl-5-methoxypyrimidin-4-amine
SMILESCCNc1ncnc(Oc2cc(C)c(Br)c(C)c2)c1OC
InChIInChI=1S/C15H18BrN3O2/c1-5-17-14-13(20-4)15(19-8-18-14)21-11-6-9(2)12(16)10(3)7-11/h6-8H,5H2,1-4H3,(H,17,18,19)
InChIKeyFLDOSUVNYDRPEM-UHFFFAOYSA-N
XLogP4.09
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3,5-dimethylphenoxy)-N-ethyl-5-methoxypyrimidin-4-amine?
The IUPAC name of 6-(4-bromo-3,5-dimethylphenoxy)-N-ethyl-5-methoxypyrimidin-4-amine (CID 107727389) is 6-(4-bromo-3,5-dimethylphenoxy)-N-ethyl-5-methoxypyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromo-3,5-dimethylphenoxy)-N-ethyl-5-methoxypyrimidin-4-amine?
The canonical SMILES for 6-(4-bromo-3,5-dimethylphenoxy)-N-ethyl-5-methoxypyrimidin-4-amine is CCNc1ncnc(Oc2cc(C)c(Br)c(C)c2)c1OC.
What is the InChIKey of 6-(4-bromo-3,5-dimethylphenoxy)-N-ethyl-5-methoxypyrimidin-4-amine?
The InChIKey is FLDOSUVNYDRPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-5-17-14-13(20-4)15(19-8-18-14)21-11-6-9(2)12(16)10(3)7-11/h6-8H,5H2,1-4H3,(H,17,18,19).
What are the key properties of 6-(4-bromo-3,5-dimethylphenoxy)-N-ethyl-5-methoxypyrimidin-4-amine?
6-(4-bromo-3,5-dimethylphenoxy)-N-ethyl-5-methoxypyrimidin-4-amine has a molecular weight of 352.23 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3,5-dimethylphenoxy)-N-ethyl-5-methoxypyrimidin-4-amine is sourced from PubChem (CID 107727389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).