{[4-(Tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy}acetonitrile
TL;DR: {[4-(Tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy}acetonitrile (CAS 405293-08-5) is a chemical compound with molecular formula C12H20N6O and molecular weight 264.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]acetonitrile
Also Known As: {[4-(tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy}acetonitrile, 2-((4-(tert-butylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl)oxy)acetonitrile, 2-[[4-(tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]acetonitrile
| Molecular Formula | C12H20N6O |
|---|---|
| Molecular Weight | 264.17 g/mol |
| LogP | 1.80468 |
| Topological Polar Surface Area | 95.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.16986 |
| Heavy Atoms | 19 |
| Complexity | 460.2679 |
Chemical Identifiers
| CAS Number | 405293-08-5 |
|---|---|
| SMILES | CC(C)NC1=NC(=NC(=N1)OCC#N)NC(C)(C)C |
Product Overview
{[4-(Tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy}acetonitrile (CAS 405293-08-5), with molecular formula C12H20N6O and molecular weight 264.17 g/mol. IUPAC: 2-[[4-(tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]acetonitrile.
Chemical Property Profile of {[4-(Tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy}acetonitrile
Property Insights of {[4-(Tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy}acetonitrile
The XLogP value of 1.80468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[4-(Tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy}acetonitrile. The TPSA of 95.75 Ų falls within the moderate polarity range, balancing permeability and solubility for {[4-(Tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy}acetonitrile. Following Lipinski's Rule of Five, {[4-(Tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy}acetonitrile has 2 hydrogen bond donor(s) and 7 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 {[4-(Tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy}acetonitrile?
The CAS number of {[4-(Tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy}acetonitrile is 405293-08-5.
What is the molecular formula of {[4-(Tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy}acetonitrile?
The molecular formula of {[4-(Tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy}acetonitrile is C12H20N6O.
What is the molecular weight of {[4-(Tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy}acetonitrile?
The molecular weight of {[4-(Tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy}acetonitrile is 264.17 g/mol.
Where can I buy {[4-(Tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy}acetonitrile?
You can request a quote for {[4-(Tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy}acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[4-(Tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy}acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for {[4-(Tert-butylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy}acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.