[3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine

C13H14BrN3O3 — CID 106999557

IUPAC[3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(Oc2ncc(Br)c(OC)n2)c1
InChIInChI=1S/C13H14BrN3O3/c1-18-9-3-8(6-15)4-10(5-9)20-13-16-7-11(14)12(17-13)19-2/h3-5,7H,6,15H2,1-2H3
InChIKeyGDFZDESXRDZACF-UHFFFAOYSA-N
MW340.18 g/mol
LogP2.51
Rot. Bonds5

About [3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine

[3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine (PubChem CID 106999557) has the molecular formula C13H14BrN3O3 and a molecular weight of 340.18 g/mol. Its IUPAC name is [3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine
PubChem CID106999557
Molecular FormulaC13H14BrN3O3
Molecular Weight340.18 g/mol
Exact Mass339.02
IUPAC Name[3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(Oc2ncc(Br)c(OC)n2)c1
InChIInChI=1S/C13H14BrN3O3/c1-18-9-3-8(6-15)4-10(5-9)20-13-16-7-11(14)12(17-13)19-2/h3-5,7H,6,15H2,1-2H3
InChIKeyGDFZDESXRDZACF-UHFFFAOYSA-N
XLogP2.51
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine?
The IUPAC name of [3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine (CID 106999557) is [3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine.
What is the SMILES notation for [3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine?
The canonical SMILES for [3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine is COc1cc(CN)cc(Oc2ncc(Br)c(OC)n2)c1.
What is the InChIKey of [3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine?
The InChIKey is GDFZDESXRDZACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O3/c1-18-9-3-8(6-15)4-10(5-9)20-13-16-7-11(14)12(17-13)19-2/h3-5,7H,6,15H2,1-2H3.
What are the key properties of [3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine?
[3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine has a molecular weight of 340.18 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine is sourced from PubChem (CID 106999557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).