2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine

C14H16BrN3O2 — CID 102950747

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
SMILESCOc1cc(C(N)Cc2cc(Br)ccc2OC)ncn1
InChIInChI=1S/C14H16BrN3O2/c1-19-13-4-3-10(15)5-9(13)6-11(16)12-7-14(20-2)18-8-17-12/h3-5,7-8,11H,6,16H2,1-2H3
InChIKeyPUVNCVLCYCVGIN-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.50
Rot. Bonds5

About 2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine

2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine (PubChem CID 102950747) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
PubChem CID102950747
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
SMILESCOc1cc(C(N)Cc2cc(Br)ccc2OC)ncn1
InChIInChI=1S/C14H16BrN3O2/c1-19-13-4-3-10(15)5-9(13)6-11(16)12-7-14(20-2)18-8-17-12/h3-5,7-8,11H,6,16H2,1-2H3
InChIKeyPUVNCVLCYCVGIN-UHFFFAOYSA-N
XLogP2.50
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950825
[2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
CID 102953300
2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950753
2-(2-bromophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950704
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
2-(5-bromo-2-methoxyphenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200515
2-(2-chloro-4-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 106868880
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1-(5-bromo-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63892579
2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950450
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817163
[2-(5-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
CID 102953441

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine (CID 102950747) is 2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine is COc1cc(C(N)Cc2cc(Br)ccc2OC)ncn1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine?
The InChIKey is PUVNCVLCYCVGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-19-13-4-3-10(15)5-9(13)6-11(16)12-7-14(20-2)18-8-17-12/h3-5,7-8,11H,6,16H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine?
2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine has a molecular weight of 338.21 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine is sourced from PubChem (CID 102950747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).