[5-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene

C14H9ClN6 — CID 86591912

IUPAC[5-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene
SMILESClc1ccc(-c2cnc(N=Nc3ncccn3)nc2)cc1
InChIInChI=1S/C14H9ClN6/c15-12-4-2-10(3-5-12)11-8-18-14(19-9-11)21-20-13-16-6-1-7-17-13/h1-9H
InChIKeyFKDVVKQEPXLMOP-UHFFFAOYSA-N
MW296.72 g/mol
LogP4.00
Rot. Bonds3

About [5-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene

[5-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene (PubChem CID 86591912) has the molecular formula C14H9ClN6 and a molecular weight of 296.72 g/mol. Its IUPAC name is [5-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene.

Molecular Properties

Compound Name[5-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene
PubChem CID86591912
Molecular FormulaC14H9ClN6
Molecular Weight296.72 g/mol
Exact Mass296.06
IUPAC Name[5-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene
SMILESClc1ccc(-c2cnc(N=Nc3ncccn3)nc2)cc1
InChIInChI=1S/C14H9ClN6/c15-12-4-2-10(3-5-12)11-8-18-14(19-9-11)21-20-13-16-6-1-7-17-13/h1-9H
InChIKeyFKDVVKQEPXLMOP-UHFFFAOYSA-N
XLogP4.00
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze [5-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene?
The IUPAC name of [5-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene (CID 86591912) is [5-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene.
What is the SMILES notation for [5-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene?
The canonical SMILES for [5-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene is Clc1ccc(-c2cnc(N=Nc3ncccn3)nc2)cc1.
What is the InChIKey of [5-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene?
The InChIKey is FKDVVKQEPXLMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN6/c15-12-4-2-10(3-5-12)11-8-18-14(19-9-11)21-20-13-16-6-1-7-17-13/h1-9H.
What are the key properties of [5-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene?
[5-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene has a molecular weight of 296.72 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene is sourced from PubChem (CID 86591912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).