2-Chloro-4-(piperidin-1-yl)pyrimidine
TL;DR: 2-Chloro-4-(piperidin-1-yl)pyrimidine (CAS 5429-00-5) is a chemical compound with molecular formula C9H12ClN3 and molecular weight 197.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-piperidin-1-ylpyrimidine
Also Known As: 2-chloro-4-(piperidin-1-yl)pyrimidine, 2-Chloro-4-piperidinopyrimidine, 2-chloro-4-piperidin-1-ylpyrimidine, 2-Chloro-4-piperidin-1-yl-pyrimidine, 2-chloro-4-piperidylpyrimidine
| Molecular Formula | C9H12ClN3 |
|---|---|
| Molecular Weight | 197.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 29.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.07198 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 5429-00-5 |
|---|---|
| SMILES | C1CCN(CC1)C2=NC(=NC=C2)Cl |
| InChIKey | KYWPHKLNTWDUPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-4-(piperidin-1-yl)pyrimidine (CAS 5429-00-5), with molecular formula C9H12ClN3 and molecular weight 197.07 g/mol. IUPAC: 2-chloro-4-piperidin-1-ylpyrimidine.
Chemical Property Profile of 2-Chloro-4-(piperidin-1-yl)pyrimidine
Property Insights of 2-Chloro-4-(piperidin-1-yl)pyrimidine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4-(piperidin-1-yl)pyrimidine. With a topological polar surface area (TPSA) of 29.0 Ų, 2-Chloro-4-(piperidin-1-yl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-(piperidin-1-yl)pyrimidine 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-Chloro-4-(piperidin-1-yl)pyrimidine?
The CAS number of 2-Chloro-4-(piperidin-1-yl)pyrimidine is 5429-00-5.
What is the molecular formula of 2-Chloro-4-(piperidin-1-yl)pyrimidine?
The molecular formula of 2-Chloro-4-(piperidin-1-yl)pyrimidine is C9H12ClN3.
What is the molecular weight of 2-Chloro-4-(piperidin-1-yl)pyrimidine?
The molecular weight of 2-Chloro-4-(piperidin-1-yl)pyrimidine is 197.07 g/mol.
Where can I buy 2-Chloro-4-(piperidin-1-yl)pyrimidine?
You can request a quote for 2-Chloro-4-(piperidin-1-yl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-(piperidin-1-yl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-(piperidin-1-yl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.