![2-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetonitrile structure](/static/products/5087/50871-54-0.webp)
2-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetonitrile
TL;DR: 2-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetonitrile (CAS 50871-54-0) is a chemical compound with molecular formula C15H22N6O3S and molecular weight 366.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetonitrile;ethanesulfonic acid
Also Known As: 2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetonitrile, ethanesulfonic acid-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]acetonitrile(1:1), 2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ace, 2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetonitrile; ethanesulfonic acid, Ethanesulfonic acid--[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]acetonitrile (1/1)
| Molecular Formula | C15H22N6O3S |
|---|---|
| Molecular Weight | 366.15 g/mol |
| LogP | 0.83228 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.1474 |
| Heavy Atoms | 25 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 50871-54-0 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CC#N)N)N)C |
| InChIKey | KVJUJDNYGGRKBS-UHFFFAOYSA-N |
Product Overview
2-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetonitrile (CAS 50871-54-0), with molecular formula C15H22N6O3S and molecular weight 366.15 g/mol. IUPAC: 2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetonitrile;ethanesulfonic acid.
Chemical Property Profile of 2-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetonitrile
Property Insights of 2-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetonitrile
The XLogP value of 0.83228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetonitrile. The TPSA of 167.0 Ų indicates high polarity, suggesting 2-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetonitrile has 3 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-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetonitrile?
The CAS number of 2-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetonitrile is 50871-54-0.
What is the molecular formula of 2-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetonitrile?
The molecular formula of 2-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetonitrile is C15H22N6O3S.
What is the molecular weight of 2-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetonitrile?
The molecular weight of 2-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetonitrile is 366.15 g/mol.
Where can I buy 2-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetonitrile?
You can request a quote for 2-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.