4-bromo-3-(5-bromopyrimidin-2-yl)oxyaniline

C10H7Br2N3O — CID 103011509

IUPAC4-bromo-3-(5-bromopyrimidin-2-yl)oxyaniline
SMILESNc1ccc(Br)c(Oc2ncc(Br)cn2)c1
InChIInChI=1S/C10H7Br2N3O/c11-6-4-14-10(15-5-6)16-9-3-7(13)1-2-8(9)12/h1-5H,13H2
InChIKeyHRUVKZCMOICGLV-UHFFFAOYSA-N
MW344.99 g/mol
LogP3.38
Rot. Bonds2

About 4-bromo-3-(5-bromopyrimidin-2-yl)oxyaniline

4-bromo-3-(5-bromopyrimidin-2-yl)oxyaniline (PubChem CID 103011509) has the molecular formula C10H7Br2N3O and a molecular weight of 344.99 g/mol. Its IUPAC name is 4-bromo-3-(5-bromopyrimidin-2-yl)oxyaniline.

Molecular Properties

Compound Name4-bromo-3-(5-bromopyrimidin-2-yl)oxyaniline
PubChem CID103011509
Molecular FormulaC10H7Br2N3O
Molecular Weight344.99 g/mol
Exact Mass342.90
IUPAC Name4-bromo-3-(5-bromopyrimidin-2-yl)oxyaniline
SMILESNc1ccc(Br)c(Oc2ncc(Br)cn2)c1
InChIInChI=1S/C10H7Br2N3O/c11-6-4-14-10(15-5-6)16-9-3-7(13)1-2-8(9)12/h1-5H,13H2
InChIKeyHRUVKZCMOICGLV-UHFFFAOYSA-N
XLogP3.38
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.99
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-bromopyrimidin-2-yl)oxy-3-methoxyaniline
CID 63871898
3-(5-bromopyrimidin-2-yl)oxy-4-ethylaniline
CID 14207817
4-bromo-3-quinazolin-2-yloxyaniline
CID 103011850
2-[5-amino-2-(5-bromopyrimidin-2-yl)oxyphenyl]acetonitrile
CID 15721606
4-bromo-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]aniline
CID 103011810
4-bromo-3-pyridin-4-yloxyaniline
CID 103011740
4-bromo-3-[(3-chloro-4-pyridinyl)oxy]aniline
CID 103011473
2-(5-amino-2-bromophenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107552173
3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-methylaniline
CID 106997973
4-bromo-3-ethoxyaniline
CID 7015503
2-(4-bromo-2-chlorophenoxy)pyrimidin-5-amine
CID 61145640
4-chloro-3-(5-fluoropyrimidin-2-yl)oxyaniline
CID 104606271

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(5-bromopyrimidin-2-yl)oxyaniline?
The IUPAC name of 4-bromo-3-(5-bromopyrimidin-2-yl)oxyaniline (CID 103011509) is 4-bromo-3-(5-bromopyrimidin-2-yl)oxyaniline.
What is the SMILES notation for 4-bromo-3-(5-bromopyrimidin-2-yl)oxyaniline?
The canonical SMILES for 4-bromo-3-(5-bromopyrimidin-2-yl)oxyaniline is Nc1ccc(Br)c(Oc2ncc(Br)cn2)c1.
What is the InChIKey of 4-bromo-3-(5-bromopyrimidin-2-yl)oxyaniline?
The InChIKey is HRUVKZCMOICGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2N3O/c11-6-4-14-10(15-5-6)16-9-3-7(13)1-2-8(9)12/h1-5H,13H2.
What are the key properties of 4-bromo-3-(5-bromopyrimidin-2-yl)oxyaniline?
4-bromo-3-(5-bromopyrimidin-2-yl)oxyaniline has a molecular weight of 344.99 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(5-bromopyrimidin-2-yl)oxyaniline is sourced from PubChem (CID 103011509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).