2-(4-Amino-6-(phenylamino)-1,3,5-triazin-2-yl)acetonitrile
TL;DR: 2-(4-Amino-6-(phenylamino)-1,3,5-triazin-2-yl)acetonitrile (CAS 99845-72-4) is a chemical compound with molecular formula C11H10N6 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-amino-6-anilino-1,3,5-triazin-2-yl)acetonitrile
Also Known As: ACETONITRILE, (4-amino-6-anilino-1,3,5-triazin-2-yl)acetonitrile, 2-(4-Amino-6-(phenylamino)-1,3,5-triazin-2-yl)acetonitrile, 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)acetonitrile, (4-AMINO-6-(PHENYLAMINO)-1,3,5-TRIAZIN-2-YL)ACETONITRILE
| Molecular Formula | C11H10N6 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 1.26348 |
| Topological Polar Surface Area | 100.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.0967 |
| Heavy Atoms | 17 |
| Complexity | 545.63324 |
Chemical Identifiers
| CAS Number | 99845-72-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CC#N |
Product Overview
2-(4-Amino-6-(phenylamino)-1,3,5-triazin-2-yl)acetonitrile (CAS 99845-72-4), with molecular formula C11H10N6 and molecular weight 226.10 g/mol. IUPAC: 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)acetonitrile.
Chemical Property Profile of 2-(4-Amino-6-(phenylamino)-1,3,5-triazin-2-yl)acetonitrile
Property Insights of 2-(4-Amino-6-(phenylamino)-1,3,5-triazin-2-yl)acetonitrile
The XLogP value of 1.26348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Amino-6-(phenylamino)-1,3,5-triazin-2-yl)acetonitrile. The TPSA of 100.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Amino-6-(phenylamino)-1,3,5-triazin-2-yl)acetonitrile. Following Lipinski's Rule of Five, 2-(4-Amino-6-(phenylamino)-1,3,5-triazin-2-yl)acetonitrile has 2 hydrogen bond donor(s) and 6 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-Amino-6-(phenylamino)-1,3,5-triazin-2-yl)acetonitrile?
The CAS number of 2-(4-Amino-6-(phenylamino)-1,3,5-triazin-2-yl)acetonitrile is 99845-72-4.
What is the molecular formula of 2-(4-Amino-6-(phenylamino)-1,3,5-triazin-2-yl)acetonitrile?
The molecular formula of 2-(4-Amino-6-(phenylamino)-1,3,5-triazin-2-yl)acetonitrile is C11H10N6.
What is the molecular weight of 2-(4-Amino-6-(phenylamino)-1,3,5-triazin-2-yl)acetonitrile?
The molecular weight of 2-(4-Amino-6-(phenylamino)-1,3,5-triazin-2-yl)acetonitrile is 226.10 g/mol.
Where can I buy 2-(4-Amino-6-(phenylamino)-1,3,5-triazin-2-yl)acetonitrile?
You can request a quote for 2-(4-Amino-6-(phenylamino)-1,3,5-triazin-2-yl)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-Amino-6-(phenylamino)-1,3,5-triazin-2-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Amino-6-(phenylamino)-1,3,5-triazin-2-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.