2-[2-(2-bromo-4-methoxyphenoxy)pyrimidin-5-yl]ethanamine

C13H14BrN3O2 — CID 104708629

IUPAC2-[2-(2-bromo-4-methoxyphenoxy)pyrimidin-5-yl]ethanamine
SMILESCOc1ccc(Oc2ncc(CCN)cn2)c(Br)c1
InChIInChI=1S/C13H14BrN3O2/c1-18-10-2-3-12(11(14)6-10)19-13-16-7-9(4-5-15)8-17-13/h2-3,6-8H,4-5,15H2,1H3
InChIKeyWTFLRFFNQCRCMO-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.54
Rot. Bonds5

About 2-[2-(2-bromo-4-methoxyphenoxy)pyrimidin-5-yl]ethanamine

2-[2-(2-bromo-4-methoxyphenoxy)pyrimidin-5-yl]ethanamine (PubChem CID 104708629) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 2-[2-(2-bromo-4-methoxyphenoxy)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-bromo-4-methoxyphenoxy)pyrimidin-5-yl]ethanamine
PubChem CID104708629
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name2-[2-(2-bromo-4-methoxyphenoxy)pyrimidin-5-yl]ethanamine
SMILESCOc1ccc(Oc2ncc(CCN)cn2)c(Br)c1
InChIInChI=1S/C13H14BrN3O2/c1-18-10-2-3-12(11(14)6-10)19-13-16-7-9(4-5-15)8-17-13/h2-3,6-8H,4-5,15H2,1H3
InChIKeyWTFLRFFNQCRCMO-UHFFFAOYSA-N
XLogP2.54
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(2-bromo-4-methoxyphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 104708631
2-(2-bromo-4-methoxyphenoxy)pyrimidin-4-amine
CID 116798025
6-(2-bromo-4-methoxyphenoxy)pyridin-3-amine
CID 104706426
4-(2-bromo-4-methoxyphenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 104708820
2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine
CID 104707648
[2-(2-bromo-4-methylphenoxy)pyrimidin-5-yl]methanol
CID 113387912
2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80640534
5-(2-bromo-4-methoxyphenoxy)pyrazin-2-amine
CID 104708756
[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine
CID 113443511
2-[5-[(3-bromo-4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine
CID 79800696
4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine
CID 104706575
[6-(2-bromo-4-methoxyphenoxy)pyridazin-3-yl]methanamine
CID 104708330

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromo-4-methoxyphenoxy)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[2-(2-bromo-4-methoxyphenoxy)pyrimidin-5-yl]ethanamine (CID 104708629) is 2-[2-(2-bromo-4-methoxyphenoxy)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(2-bromo-4-methoxyphenoxy)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[2-(2-bromo-4-methoxyphenoxy)pyrimidin-5-yl]ethanamine is COc1ccc(Oc2ncc(CCN)cn2)c(Br)c1.
What is the InChIKey of 2-[2-(2-bromo-4-methoxyphenoxy)pyrimidin-5-yl]ethanamine?
The InChIKey is WTFLRFFNQCRCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-18-10-2-3-12(11(14)6-10)19-13-16-7-9(4-5-15)8-17-13/h2-3,6-8H,4-5,15H2,1H3.
What are the key properties of 2-[2-(2-bromo-4-methoxyphenoxy)pyrimidin-5-yl]ethanamine?
2-[2-(2-bromo-4-methoxyphenoxy)pyrimidin-5-yl]ethanamine has a molecular weight of 324.18 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-4-methoxyphenoxy)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 104708629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).