![2-[4-(2-Tert-butylisonicotinoyl)-1-piperazinyl]pyrimidine structure](/static/products/6223/622341-93-9.webp)
2-[4-(2-Tert-butylisonicotinoyl)-1-piperazinyl]pyrimidine
TL;DR: 2-[4-(2-Tert-butylisonicotinoyl)-1-piperazinyl]pyrimidine (CAS 622341-93-9) is a chemical compound with molecular formula C18H23N5O and molecular weight 325.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-tert-butyl-4-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
Also Known As: AF-399/42385910, 2-[4-(2-tert-butylisonicotinoyl)-1-piperazinyl]pyrimidine, (2-tert-butylpyridin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone, (2-(tert-butyl)pyridin-4-yl)(4-(pyrimidin-2-yl)piperazin-1-yl)methanone, (2-tert-butylpyridin-4-yl)[4-(pyrimidin-2-yl)piperazin-1-yl]methanone
| Molecular Formula | C18H23N5O |
|---|---|
| Molecular Weight | 325.19 g/mol |
| LogP | 2.1315 |
| Topological Polar Surface Area | 62.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.19025 |
| Heavy Atoms | 24 |
| Complexity | 702.8491 |
Chemical Identifiers
| CAS Number | 622341-93-9 |
|---|---|
| SMILES | CC(C)(C)C1=NC=CC(=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3 |
Product Overview
2-[4-(2-Tert-butylisonicotinoyl)-1-piperazinyl]pyrimidine (CAS 622341-93-9), with molecular formula C18H23N5O and molecular weight 325.19 g/mol. IUPAC: (2-tert-butyl-4-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
Chemical Property Profile of 2-[4-(2-Tert-butylisonicotinoyl)-1-piperazinyl]pyrimidine
Property Insights of 2-[4-(2-Tert-butylisonicotinoyl)-1-piperazinyl]pyrimidine
The XLogP value of 2.1315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(2-Tert-butylisonicotinoyl)-1-piperazinyl]pyrimidine. The TPSA of 62.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(2-Tert-butylisonicotinoyl)-1-piperazinyl]pyrimidine. Following Lipinski's Rule of Five, 2-[4-(2-Tert-butylisonicotinoyl)-1-piperazinyl]pyrimidine has 0 hydrogen bond donor(s) and 5 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-[4-(2-Tert-butylisonicotinoyl)-1-piperazinyl]pyrimidine?
The CAS number of 2-[4-(2-Tert-butylisonicotinoyl)-1-piperazinyl]pyrimidine is 622341-93-9.
What is the molecular formula of 2-[4-(2-Tert-butylisonicotinoyl)-1-piperazinyl]pyrimidine?
The molecular formula of 2-[4-(2-Tert-butylisonicotinoyl)-1-piperazinyl]pyrimidine is C18H23N5O.
What is the molecular weight of 2-[4-(2-Tert-butylisonicotinoyl)-1-piperazinyl]pyrimidine?
The molecular weight of 2-[4-(2-Tert-butylisonicotinoyl)-1-piperazinyl]pyrimidine is 325.19 g/mol.
Where can I buy 2-[4-(2-Tert-butylisonicotinoyl)-1-piperazinyl]pyrimidine?
You can request a quote for 2-[4-(2-Tert-butylisonicotinoyl)-1-piperazinyl]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(2-Tert-butylisonicotinoyl)-1-piperazinyl]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(2-Tert-butylisonicotinoyl)-1-piperazinyl]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.