2-(Pyridin-3-yl)-1,4,5,6-tetrahydropyrimidine
TL;DR: 2-(Pyridin-3-yl)-1,4,5,6-tetrahydropyrimidine (CAS 36082-64-1) is a chemical compound with molecular formula C9H11N3 and molecular weight 161.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyridin-3-yl-1,4,5,6-tetrahydropyrimidine
Also Known As: 2-THP, 2-(pyridin-3-yl)-1,4,5,6-tetrahydropyrimidine, 2- -1,4,5,6-tetrahydropyrimidine, 2-(3-pyridyl)-3,4,5,6-tetrahydropyrimidine, 2-pyridin-3-yl-1,4,5,6-tetrahydropyrimidine
| Molecular Formula | C9H11N3 |
|---|---|
| Molecular Weight | 161.10 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.09529 |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 36082-64-1 |
|---|---|
| SMILES | C1CNC(=NC1)C2=CN=CC=C2 |
| InChIKey | GJLTXRWLJHQRCR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Pyridin-3-yl)-1,4,5,6-tetrahydropyrimidine (CAS 36082-64-1), with molecular formula C9H11N3 and molecular weight 161.10 g/mol. IUPAC: 2-pyridin-3-yl-1,4,5,6-tetrahydropyrimidine.
Chemical Property Profile of 2-(Pyridin-3-yl)-1,4,5,6-tetrahydropyrimidine
Property Insights of 2-(Pyridin-3-yl)-1,4,5,6-tetrahydropyrimidine
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Pyridin-3-yl)-1,4,5,6-tetrahydropyrimidine. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(Pyridin-3-yl)-1,4,5,6-tetrahydropyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Pyridin-3-yl)-1,4,5,6-tetrahydropyrimidine has 1 hydrogen bond donor(s) and 2 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-(Pyridin-3-yl)-1,4,5,6-tetrahydropyrimidine?
The CAS number of 2-(Pyridin-3-yl)-1,4,5,6-tetrahydropyrimidine is 36082-64-1.
What is the molecular formula of 2-(Pyridin-3-yl)-1,4,5,6-tetrahydropyrimidine?
The molecular formula of 2-(Pyridin-3-yl)-1,4,5,6-tetrahydropyrimidine is C9H11N3.
What is the molecular weight of 2-(Pyridin-3-yl)-1,4,5,6-tetrahydropyrimidine?
The molecular weight of 2-(Pyridin-3-yl)-1,4,5,6-tetrahydropyrimidine is 161.10 g/mol.
Where can I buy 2-(Pyridin-3-yl)-1,4,5,6-tetrahydropyrimidine?
You can request a quote for 2-(Pyridin-3-yl)-1,4,5,6-tetrahydropyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Pyridin-3-yl)-1,4,5,6-tetrahydropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Pyridin-3-yl)-1,4,5,6-tetrahydropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.