4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]aniline

C15H12N4O — CID 59373989

IUPAC4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]aniline
SMILESNc1ccc(Oc2ncccc2-c2ccncn2)cc1
InChIInChI=1S/C15H12N4O/c16-11-3-5-12(6-4-11)20-15-13(2-1-8-18-15)14-7-9-17-10-19-14/h1-10H,16H2
InChIKeyMYWQZGLEIFSQTJ-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.91
Rot. Bonds3

About 4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]aniline

4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]aniline (PubChem CID 59373989) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]aniline
PubChem CID59373989
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]aniline
SMILESNc1ccc(Oc2ncccc2-c2ccncn2)cc1
InChIInChI=1S/C15H12N4O/c16-11-3-5-12(6-4-11)20-15-13(2-1-8-18-15)14-7-9-17-10-19-14/h1-10H,16H2
InChIKeyMYWQZGLEIFSQTJ-UHFFFAOYSA-N
XLogP2.91
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]aniline?
The IUPAC name of 4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]aniline (CID 59373989) is 4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]aniline.
What is the SMILES notation for 4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]aniline?
The canonical SMILES for 4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]aniline is Nc1ccc(Oc2ncccc2-c2ccncn2)cc1.
What is the InChIKey of 4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]aniline?
The InChIKey is MYWQZGLEIFSQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c16-11-3-5-12(6-4-11)20-15-13(2-1-8-18-15)14-7-9-17-10-19-14/h1-10H,16H2.
What are the key properties of 4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]aniline?
4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]aniline has a molecular weight of 264.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]aniline is sourced from PubChem (CID 59373989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).