4-Amino-2-(trichloromethyl)-6-(trifluoromethyl)pyrimidine-5-carbonitrile
TL;DR: 4-Amino-2-(trichloromethyl)-6-(trifluoromethyl)pyrimidine-5-carbonitrile (CAS 80862-23-3) is a chemical compound with molecular formula C7H2Cl3F3N4 and molecular weight 303.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2-(trichloromethyl)-6-(trifluoromethyl)pyrimidine-5-carbonitrile
Also Known As: 2-trichloromethyl-4-trifluoromethyl-5-cyano-6-aminopyrimidine, 4-amino-2-(trichloromethyl)-6-(trifluoromethyl)pyrimidine-5-carbonitrile
| Molecular Formula | C7H2Cl3F3N4 |
|---|---|
| Molecular Weight | 303.93 g/mol |
| LogP | 2.77598 |
| Topological Polar Surface Area | 75.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 303.92972 |
| Heavy Atoms | 17 |
| Complexity | 488.85312 |
Chemical Identifiers
| CAS Number | 80862-23-3 |
|---|---|
| SMILES | C(#N)C1=C(N=C(N=C1N)C(Cl)(Cl)Cl)C(F)(F)F |
Product Overview
4-Amino-2-(trichloromethyl)-6-(trifluoromethyl)pyrimidine-5-carbonitrile (CAS 80862-23-3), with molecular formula C7H2Cl3F3N4 and molecular weight 303.93 g/mol. IUPAC: 4-amino-2-(trichloromethyl)-6-(trifluoromethyl)pyrimidine-5-carbonitrile.
Chemical Property Profile of 4-Amino-2-(trichloromethyl)-6-(trifluoromethyl)pyrimidine-5-carbonitrile
Property Insights of 4-Amino-2-(trichloromethyl)-6-(trifluoromethyl)pyrimidine-5-carbonitrile
The XLogP value of 2.77598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2-(trichloromethyl)-6-(trifluoromethyl)pyrimidine-5-carbonitrile. The TPSA of 75.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-2-(trichloromethyl)-6-(trifluoromethyl)pyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 4-Amino-2-(trichloromethyl)-6-(trifluoromethyl)pyrimidine-5-carbonitrile has 1 hydrogen bond donor(s) and 4 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-Amino-2-(trichloromethyl)-6-(trifluoromethyl)pyrimidine-5-carbonitrile?
The CAS number of 4-Amino-2-(trichloromethyl)-6-(trifluoromethyl)pyrimidine-5-carbonitrile is 80862-23-3.
What is the molecular formula of 4-Amino-2-(trichloromethyl)-6-(trifluoromethyl)pyrimidine-5-carbonitrile?
The molecular formula of 4-Amino-2-(trichloromethyl)-6-(trifluoromethyl)pyrimidine-5-carbonitrile is C7H2Cl3F3N4.
What is the molecular weight of 4-Amino-2-(trichloromethyl)-6-(trifluoromethyl)pyrimidine-5-carbonitrile?
The molecular weight of 4-Amino-2-(trichloromethyl)-6-(trifluoromethyl)pyrimidine-5-carbonitrile is 303.93 g/mol.
Where can I buy 4-Amino-2-(trichloromethyl)-6-(trifluoromethyl)pyrimidine-5-carbonitrile?
You can request a quote for 4-Amino-2-(trichloromethyl)-6-(trifluoromethyl)pyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-2-(trichloromethyl)-6-(trifluoromethyl)pyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2-(trichloromethyl)-6-(trifluoromethyl)pyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.