4-N-benzyl-6-chloro-2-(trifluoromethyl)pyrimidine-4,5-diamine
TL;DR: 4-N-benzyl-6-chloro-2-(trifluoromethyl)pyrimidine-4,5-diamine (CAS 3222-49-9) is a chemical compound with molecular formula C12H10ClF3N4 and molecular weight 302.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-benzyl-6-chloro-2-(trifluoromethyl)pyrimidine-4,5-diamine
Also Known As: n4-benzyl-6-chloro-2-(trifluoromethyl)pyrimidine-4,5-diamine, 4-N-benzyl-6-chloro-2-(trifluoromethyl)pyrimidine-4,5-diamine, 6-(Benzylimino)-4-chloro-2-(trifluoromethyl)-1,6-dihydropyrimidin-5-amine
| Molecular Formula | C12H10ClF3N4 |
|---|---|
| Molecular Weight | 302.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.0546 |
| Heavy Atoms | 20 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 3222-49-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=C(C(=NC(=N2)C(F)(F)F)Cl)N |
| InChIKey | SFTLVRYDSRFZNC-UHFFFAOYSA-N |
Product Overview
4-N-benzyl-6-chloro-2-(trifluoromethyl)pyrimidine-4,5-diamine (CAS 3222-49-9), with molecular formula C12H10ClF3N4 and molecular weight 302.05 g/mol. IUPAC: 4-N-benzyl-6-chloro-2-(trifluoromethyl)pyrimidine-4,5-diamine.
Chemical Property Profile of 4-N-benzyl-6-chloro-2-(trifluoromethyl)pyrimidine-4,5-diamine
Property Insights of 4-N-benzyl-6-chloro-2-(trifluoromethyl)pyrimidine-4,5-diamine
The XLogP value of 3.2 indicates that 4-N-benzyl-6-chloro-2-(trifluoromethyl)pyrimidine-4,5-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-N-benzyl-6-chloro-2-(trifluoromethyl)pyrimidine-4,5-diamine. Following Lipinski's Rule of Five, 4-N-benzyl-6-chloro-2-(trifluoromethyl)pyrimidine-4,5-diamine 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-N-benzyl-6-chloro-2-(trifluoromethyl)pyrimidine-4,5-diamine?
The CAS number of 4-N-benzyl-6-chloro-2-(trifluoromethyl)pyrimidine-4,5-diamine is 3222-49-9.
What is the molecular formula of 4-N-benzyl-6-chloro-2-(trifluoromethyl)pyrimidine-4,5-diamine?
The molecular formula of 4-N-benzyl-6-chloro-2-(trifluoromethyl)pyrimidine-4,5-diamine is C12H10ClF3N4.
What is the molecular weight of 4-N-benzyl-6-chloro-2-(trifluoromethyl)pyrimidine-4,5-diamine?
The molecular weight of 4-N-benzyl-6-chloro-2-(trifluoromethyl)pyrimidine-4,5-diamine is 302.05 g/mol.
Where can I buy 4-N-benzyl-6-chloro-2-(trifluoromethyl)pyrimidine-4,5-diamine?
You can request a quote for 4-N-benzyl-6-chloro-2-(trifluoromethyl)pyrimidine-4,5-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-N-benzyl-6-chloro-2-(trifluoromethyl)pyrimidine-4,5-diamine?
Yes, KEHONG BIO provides custom synthesis services for 4-N-benzyl-6-chloro-2-(trifluoromethyl)pyrimidine-4,5-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.