2-(5-bromopyrimidin-4-yl)oxy-4-methoxyaniline

C11H10BrN3O2 — CID 102703005

IUPAC2-(5-bromopyrimidin-4-yl)oxy-4-methoxyaniline
SMILESCOc1ccc(N)c(Oc2ncncc2Br)c1
InChIInChI=1S/C11H10BrN3O2/c1-16-7-2-3-9(13)10(4-7)17-11-8(12)5-14-6-15-11/h2-6H,13H2,1H3
InChIKeyJEZPZFKNNKIDGN-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.62
Rot. Bonds3

About 2-(5-bromopyrimidin-4-yl)oxy-4-methoxyaniline

2-(5-bromopyrimidin-4-yl)oxy-4-methoxyaniline (PubChem CID 102703005) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is 2-(5-bromopyrimidin-4-yl)oxy-4-methoxyaniline.

Molecular Properties

Compound Name2-(5-bromopyrimidin-4-yl)oxy-4-methoxyaniline
PubChem CID102703005
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Name2-(5-bromopyrimidin-4-yl)oxy-4-methoxyaniline
SMILESCOc1ccc(N)c(Oc2ncncc2Br)c1
InChIInChI=1S/C11H10BrN3O2/c1-16-7-2-3-9(13)10(4-7)17-11-8(12)5-14-6-15-11/h2-6H,13H2,1H3
InChIKeyJEZPZFKNNKIDGN-UHFFFAOYSA-N
XLogP2.62
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine
CID 104706575
5-bromo-4-(4-methoxyphenoxy)pyrimidine
CID 66317769
2-(5-bromopyrimidin-4-yl)oxy-5-methylaniline
CID 66342175
5-bromo-4-(3-bromo-4-fluorophenoxy)pyrimidine
CID 83235339
4-(5-bromopyrimidin-4-yl)oxynaphthalen-1-amine
CID 66340180
2-(4-bromo-3-methylphenoxy)-4-methoxyaniline
CID 83133415
2-[(3,5-dibromo-2-pyridinyl)oxy]-5-methoxyaniline
CID 113413727
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-5-methoxyaniline
CID 105367213
4-N-(2-bromo-5-methoxyphenyl)pyrimidine-4,5-diamine
CID 79918834
2-(5-bromo-2-methylphenoxy)-4-methoxyaniline
CID 107283339
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
5-bromo-4-(4-iodophenoxy)pyrimidine
CID 66342526

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopyrimidin-4-yl)oxy-4-methoxyaniline?
The IUPAC name of 2-(5-bromopyrimidin-4-yl)oxy-4-methoxyaniline (CID 102703005) is 2-(5-bromopyrimidin-4-yl)oxy-4-methoxyaniline.
What is the SMILES notation for 2-(5-bromopyrimidin-4-yl)oxy-4-methoxyaniline?
The canonical SMILES for 2-(5-bromopyrimidin-4-yl)oxy-4-methoxyaniline is COc1ccc(N)c(Oc2ncncc2Br)c1.
What is the InChIKey of 2-(5-bromopyrimidin-4-yl)oxy-4-methoxyaniline?
The InChIKey is JEZPZFKNNKIDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c1-16-7-2-3-9(13)10(4-7)17-11-8(12)5-14-6-15-11/h2-6H,13H2,1H3.
What are the key properties of 2-(5-bromopyrimidin-4-yl)oxy-4-methoxyaniline?
2-(5-bromopyrimidin-4-yl)oxy-4-methoxyaniline has a molecular weight of 296.12 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopyrimidin-4-yl)oxy-4-methoxyaniline is sourced from PubChem (CID 102703005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).