![2-{[3-(Trifluoromethyl)benzyl]amino}-5-pyrimidinecarbonitrile structure](/static/products/4000/400084-58-4.webp)
2-{[3-(Trifluoromethyl)benzyl]amino}-5-pyrimidinecarbonitrile
TL;DR: 2-{[3-(Trifluoromethyl)benzyl]amino}-5-pyrimidinecarbonitrile (CAS 400084-58-4) is a chemical compound with molecular formula C13H9F3N4 and molecular weight 278.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile
Also Known As: 6E-047, 2-{[3-(trifluoromethyl)benzyl]amino}-5-pyrimidinecarbonitrile, 2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile, 2-({[3-(trifluoromethyl)phenyl]methyl}amino)pyrimidine-5-carbonitrile
| Molecular Formula | C13H9F3N4 |
|---|---|
| Molecular Weight | 278.08 g/mol |
| LogP | 2.97918 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.07794 |
| Heavy Atoms | 20 |
| Complexity | 629.2999 |
Chemical Identifiers
| CAS Number | 400084-58-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CNC2=NC=C(C=N2)C#N |
Product Overview
2-{[3-(Trifluoromethyl)benzyl]amino}-5-pyrimidinecarbonitrile (CAS 400084-58-4), with molecular formula C13H9F3N4 and molecular weight 278.08 g/mol. IUPAC: 2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile.
Chemical Property Profile of 2-{[3-(Trifluoromethyl)benzyl]amino}-5-pyrimidinecarbonitrile
Property Insights of 2-{[3-(Trifluoromethyl)benzyl]amino}-5-pyrimidinecarbonitrile
The XLogP value of 2.97918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[3-(Trifluoromethyl)benzyl]amino}-5-pyrimidinecarbonitrile. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[3-(Trifluoromethyl)benzyl]amino}-5-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 2-{[3-(Trifluoromethyl)benzyl]amino}-5-pyrimidinecarbonitrile 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 2-{[3-(Trifluoromethyl)benzyl]amino}-5-pyrimidinecarbonitrile?
The CAS number of 2-{[3-(Trifluoromethyl)benzyl]amino}-5-pyrimidinecarbonitrile is 400084-58-4.
What is the molecular formula of 2-{[3-(Trifluoromethyl)benzyl]amino}-5-pyrimidinecarbonitrile?
The molecular formula of 2-{[3-(Trifluoromethyl)benzyl]amino}-5-pyrimidinecarbonitrile is C13H9F3N4.
What is the molecular weight of 2-{[3-(Trifluoromethyl)benzyl]amino}-5-pyrimidinecarbonitrile?
The molecular weight of 2-{[3-(Trifluoromethyl)benzyl]amino}-5-pyrimidinecarbonitrile is 278.08 g/mol.
Where can I buy 2-{[3-(Trifluoromethyl)benzyl]amino}-5-pyrimidinecarbonitrile?
You can request a quote for 2-{[3-(Trifluoromethyl)benzyl]amino}-5-pyrimidinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[3-(Trifluoromethyl)benzyl]amino}-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-(Trifluoromethyl)benzyl]amino}-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.