3-pyrimidin-2-yloxyaniline

C10H9N3O — CID 16771844

IUPAC3-pyrimidin-2-yloxyaniline
SMILESNc1cccc(Oc2ncccn2)c1
InChIInChI=1S/C10H9N3O/c11-8-3-1-4-9(7-8)14-10-12-5-2-6-13-10/h1-7H,11H2
InChIKeyLGQYFEIXVXGFKY-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.85
Rot. Bonds2

About 3-pyrimidin-2-yloxyaniline

3-pyrimidin-2-yloxyaniline (PubChem CID 16771844) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-pyrimidin-2-yloxyaniline.

Molecular Properties

Compound Name3-pyrimidin-2-yloxyaniline
PubChem CID16771844
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name3-pyrimidin-2-yloxyaniline
SMILESNc1cccc(Oc2ncccn2)c1
InChIInChI=1S/C10H9N3O/c11-8-3-1-4-9(7-8)14-10-12-5-2-6-13-10/h1-7H,11H2
InChIKeyLGQYFEIXVXGFKY-UHFFFAOYSA-N
XLogP1.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-2-yloxyaniline?
The IUPAC name of 3-pyrimidin-2-yloxyaniline (CID 16771844) is 3-pyrimidin-2-yloxyaniline.
What is the SMILES notation for 3-pyrimidin-2-yloxyaniline?
The canonical SMILES for 3-pyrimidin-2-yloxyaniline is Nc1cccc(Oc2ncccn2)c1.
What is the InChIKey of 3-pyrimidin-2-yloxyaniline?
The InChIKey is LGQYFEIXVXGFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-8-3-1-4-9(7-8)14-10-12-5-2-6-13-10/h1-7H,11H2.
What are the key properties of 3-pyrimidin-2-yloxyaniline?
3-pyrimidin-2-yloxyaniline has a molecular weight of 187.20 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-2-yloxyaniline is sourced from PubChem (CID 16771844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).