3-pyrimidin-5-ylaniline

C10H9N3 — CID 7162049

IUPAC3-pyrimidin-5-ylaniline
SMILESNc1cccc(-c2cncnc2)c1
InChIInChI=1S/C10H9N3/c11-10-3-1-2-8(4-10)9-5-12-7-13-6-9/h1-7H,11H2
InChIKeyDZEIKJMNXHOFHL-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.73
Rot. Bonds1

About 3-pyrimidin-5-ylaniline

3-pyrimidin-5-ylaniline (PubChem CID 7162049) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-pyrimidin-5-ylaniline.

Molecular Properties

Compound Name3-pyrimidin-5-ylaniline
PubChem CID7162049
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name3-pyrimidin-5-ylaniline
SMILESNc1cccc(-c2cncnc2)c1
InChIInChI=1S/C10H9N3/c11-10-3-1-2-8(4-10)9-5-12-7-13-6-9/h1-7H,11H2
InChIKeyDZEIKJMNXHOFHL-UHFFFAOYSA-N
XLogP1.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-5-ylaniline?
The IUPAC name of 3-pyrimidin-5-ylaniline (CID 7162049) is 3-pyrimidin-5-ylaniline.
What is the SMILES notation for 3-pyrimidin-5-ylaniline?
The canonical SMILES for 3-pyrimidin-5-ylaniline is Nc1cccc(-c2cncnc2)c1.
What is the InChIKey of 3-pyrimidin-5-ylaniline?
The InChIKey is DZEIKJMNXHOFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c11-10-3-1-2-8(4-10)9-5-12-7-13-6-9/h1-7H,11H2.
What are the key properties of 3-pyrimidin-5-ylaniline?
3-pyrimidin-5-ylaniline has a molecular weight of 171.20 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-5-ylaniline is sourced from PubChem (CID 7162049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).