3-Pyrimidin-5-ylaniline
TL;DR: 3-Pyrimidin-5-ylaniline (CAS 69491-59-4) is a chemical compound with molecular formula C10H9N3 and molecular weight 171.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyrimidin-5-ylaniline
Also Known As: 3-pyrimidin-5-ylaniline, 3-(pyrimidin-5-yl)aniline, 3-(5-Pyrimidinyl)aniline, Benzenamine,3-(5-pyrimidinyl)-, 3-(5-Pyrimidyl)aniline
| Molecular Formula | C10H9N3 |
|---|---|
| Molecular Weight | 171.08 g/mol |
| LogP | 1.7258 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.07965 |
| Heavy Atoms | 13 |
| Complexity | 397.92444 |
Chemical Identifiers
| CAS Number | 69491-59-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N)C2=CN=CN=C2 |
Product Overview
3-Pyrimidin-5-ylaniline (CAS 69491-59-4), with molecular formula C10H9N3 and molecular weight 171.08 g/mol. IUPAC: 3-pyrimidin-5-ylaniline.
Chemical Property Profile of 3-Pyrimidin-5-ylaniline
Property Insights of 3-Pyrimidin-5-ylaniline
The XLogP value of 1.7258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyrimidin-5-ylaniline. With a topological polar surface area (TPSA) of 51.8 Ų, 3-Pyrimidin-5-ylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyrimidin-5-ylaniline has 1 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 3-Pyrimidin-5-ylaniline?
The CAS number of 3-Pyrimidin-5-ylaniline is 69491-59-4.
What is the molecular formula of 3-Pyrimidin-5-ylaniline?
The molecular formula of 3-Pyrimidin-5-ylaniline is C10H9N3.
What is the molecular weight of 3-Pyrimidin-5-ylaniline?
The molecular weight of 3-Pyrimidin-5-ylaniline is 171.08 g/mol.
Where can I buy 3-Pyrimidin-5-ylaniline?
You can request a quote for 3-Pyrimidin-5-ylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyrimidin-5-ylaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyrimidin-5-ylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.