2-Benzylideneaminopyrimidine
TL;DR: 2-Benzylideneaminopyrimidine (CAS 91093-25-3) is a chemical compound with molecular formula C11H9N3 and molecular weight 183.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-N-pyrimidin-2-ylmethanimine
Also Known As: 2-benzylideneaminopyrimidine, N-(benzylidene)-2-aminopyrimidine
| Molecular Formula | C11H9N3 |
|---|---|
| Molecular Weight | 183.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.07965 |
| Heavy Atoms | 14 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 91093-25-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=NC2=NC=CC=N2 |
| InChIKey | TYWXCXUZVNYNMH-UHFFFAOYSA-N |
Product Overview
2-Benzylideneaminopyrimidine (CAS 91093-25-3), with molecular formula C11H9N3 and molecular weight 183.08 g/mol. IUPAC: 1-phenyl-N-pyrimidin-2-ylmethanimine.
Chemical Property Profile of 2-Benzylideneaminopyrimidine
Property Insights of 2-Benzylideneaminopyrimidine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzylideneaminopyrimidine. With a topological polar surface area (TPSA) of 38.1 Ų, 2-Benzylideneaminopyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzylideneaminopyrimidine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Benzylideneaminopyrimidine?
The CAS number of 2-Benzylideneaminopyrimidine is 91093-25-3.
What is the molecular formula of 2-Benzylideneaminopyrimidine?
The molecular formula of 2-Benzylideneaminopyrimidine is C11H9N3.
What is the molecular weight of 2-Benzylideneaminopyrimidine?
The molecular weight of 2-Benzylideneaminopyrimidine is 183.08 g/mol.
Where can I buy 2-Benzylideneaminopyrimidine?
You can request a quote for 2-Benzylideneaminopyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzylideneaminopyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylideneaminopyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.