4-(5-bromo-2-fluorophenoxy)-6-ethoxypyrimidin-5-amine

C12H11BrFN3O2 — CID 114671732

IUPAC4-(5-bromo-2-fluorophenoxy)-6-ethoxypyrimidin-5-amine
SMILESCCOc1ncnc(Oc2cc(Br)ccc2F)c1N
InChIInChI=1S/C12H11BrFN3O2/c1-2-18-11-10(15)12(17-6-16-11)19-9-5-7(13)3-4-8(9)14/h3-6H,2,15H2,1H3
InChIKeyXQMYSHLPRKVSLU-UHFFFAOYSA-N
MW328.14 g/mol
LogP3.15
Rot. Bonds4

About 4-(5-bromo-2-fluorophenoxy)-6-ethoxypyrimidin-5-amine

4-(5-bromo-2-fluorophenoxy)-6-ethoxypyrimidin-5-amine (PubChem CID 114671732) has the molecular formula C12H11BrFN3O2 and a molecular weight of 328.14 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenoxy)-6-ethoxypyrimidin-5-amine.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenoxy)-6-ethoxypyrimidin-5-amine
PubChem CID114671732
Molecular FormulaC12H11BrFN3O2
Molecular Weight328.14 g/mol
Exact Mass327.00
IUPAC Name4-(5-bromo-2-fluorophenoxy)-6-ethoxypyrimidin-5-amine
SMILESCCOc1ncnc(Oc2cc(Br)ccc2F)c1N
InChIInChI=1S/C12H11BrFN3O2/c1-2-18-11-10(15)12(17-6-16-11)19-9-5-7(13)3-4-8(9)14/h3-6H,2,15H2,1H3
InChIKeyXQMYSHLPRKVSLU-UHFFFAOYSA-N
XLogP3.15
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.14
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-bromo-4-fluorophenoxy)-6-ethoxypyrimidin-5-amine
CID 83232697
2-(5-bromo-2-fluorophenoxy)-4-methylpyridin-3-amine
CID 114671679
4-(5-bromo-2,3-difluorophenoxy)-6-propoxypyrimidin-5-amine
CID 107097377
[4-(5-bromo-2-fluorophenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
CID 114677402
1-[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]propan-2-amine
CID 114677140
4-bromo-2-(ethoxymethoxy)-1-fluorobenzene
CID 114672897
3-bromo-2-(5-bromo-2-fluorophenoxy)pyridine
CID 114673272
4-N-(4-bromo-2-ethylphenyl)-6-ethoxypyrimidine-4,5-diamine
CID 81292242
4-ethoxy-6-naphthalen-2-yloxypyrimidin-5-amine
CID 22543733
2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-propoxyaniline
CID 114671713
4-(5-bromo-2,3-difluorophenoxy)-6-propan-2-yloxypyrimidin-5-amine
CID 107097443
1-[2-(5-bromo-2-fluorophenoxy)phenyl]butan-2-amine
CID 114677108

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenoxy)-6-ethoxypyrimidin-5-amine?
The IUPAC name of 4-(5-bromo-2-fluorophenoxy)-6-ethoxypyrimidin-5-amine (CID 114671732) is 4-(5-bromo-2-fluorophenoxy)-6-ethoxypyrimidin-5-amine.
What is the SMILES notation for 4-(5-bromo-2-fluorophenoxy)-6-ethoxypyrimidin-5-amine?
The canonical SMILES for 4-(5-bromo-2-fluorophenoxy)-6-ethoxypyrimidin-5-amine is CCOc1ncnc(Oc2cc(Br)ccc2F)c1N.
What is the InChIKey of 4-(5-bromo-2-fluorophenoxy)-6-ethoxypyrimidin-5-amine?
The InChIKey is XQMYSHLPRKVSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O2/c1-2-18-11-10(15)12(17-6-16-11)19-9-5-7(13)3-4-8(9)14/h3-6H,2,15H2,1H3.
What are the key properties of 4-(5-bromo-2-fluorophenoxy)-6-ethoxypyrimidin-5-amine?
4-(5-bromo-2-fluorophenoxy)-6-ethoxypyrimidin-5-amine has a molecular weight of 328.14 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenoxy)-6-ethoxypyrimidin-5-amine is sourced from PubChem (CID 114671732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).