4-(5-bromopyrimidin-2-yl)oxy-3-methoxyaniline

C11H10BrN3O2 — CID 63871898

IUPAC4-(5-bromopyrimidin-2-yl)oxy-3-methoxyaniline
SMILESCOc1cc(N)ccc1Oc1ncc(Br)cn1
InChIInChI=1S/C11H10BrN3O2/c1-16-10-4-8(13)2-3-9(10)17-11-14-5-7(12)6-15-11/h2-6H,13H2,1H3
InChIKeyNITDRDLASSOHRL-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.62
Rot. Bonds3

About 4-(5-bromopyrimidin-2-yl)oxy-3-methoxyaniline

4-(5-bromopyrimidin-2-yl)oxy-3-methoxyaniline (PubChem CID 63871898) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is 4-(5-bromopyrimidin-2-yl)oxy-3-methoxyaniline.

Molecular Properties

Compound Name4-(5-bromopyrimidin-2-yl)oxy-3-methoxyaniline
PubChem CID63871898
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Name4-(5-bromopyrimidin-2-yl)oxy-3-methoxyaniline
SMILESCOc1cc(N)ccc1Oc1ncc(Br)cn1
InChIInChI=1S/C11H10BrN3O2/c1-16-10-4-8(13)2-3-9(10)17-11-14-5-7(12)6-15-11/h2-6H,13H2,1H3
InChIKeyNITDRDLASSOHRL-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-bromo-3-(5-bromopyrimidin-2-yl)oxyaniline
CID 103011509
3-(5-bromopyrimidin-2-yl)oxy-4-ethylaniline
CID 14207817
2-(2-methoxy-4-methylphenoxy)pyrimidin-5-amine
CID 61146611
2-[5-amino-2-(5-bromopyrimidin-2-yl)oxyphenyl]acetonitrile
CID 15721606
4-(5-aminopyrimidin-2-yl)oxy-3-methoxybenzamide
CID 61147721
3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-methylaniline
CID 106997973
4-[(5-fluoro-2-pyridinyl)oxy]-3-methoxyaniline
CID 55036542
3-methoxy-4-(1-methylimidazol-2-yl)oxyaniline
CID 62132202
3-methoxy-4-[(3-methyl-2-pyridinyl)oxy]aniline
CID 62254600
2-(4-bromo-2-chlorophenoxy)pyrimidin-5-amine
CID 61145640
4-bromo-3-methoxyaniline;iron
CID 158491783
4-[(3-bromophenyl)methoxy]-3-methoxyaniline
CID 55036826

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopyrimidin-2-yl)oxy-3-methoxyaniline?
The IUPAC name of 4-(5-bromopyrimidin-2-yl)oxy-3-methoxyaniline (CID 63871898) is 4-(5-bromopyrimidin-2-yl)oxy-3-methoxyaniline.
What is the SMILES notation for 4-(5-bromopyrimidin-2-yl)oxy-3-methoxyaniline?
The canonical SMILES for 4-(5-bromopyrimidin-2-yl)oxy-3-methoxyaniline is COc1cc(N)ccc1Oc1ncc(Br)cn1.
What is the InChIKey of 4-(5-bromopyrimidin-2-yl)oxy-3-methoxyaniline?
The InChIKey is NITDRDLASSOHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c1-16-10-4-8(13)2-3-9(10)17-11-14-5-7(12)6-15-11/h2-6H,13H2,1H3.
What are the key properties of 4-(5-bromopyrimidin-2-yl)oxy-3-methoxyaniline?
4-(5-bromopyrimidin-2-yl)oxy-3-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 4-(5-bromopyrimidin-2-yl)oxy-3-methoxyaniline is sourced from PubChem (CID 63871898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).