n4-Butyl-2-chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine
TL;DR: n4-Butyl-2-chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine (CAS 2413-85-6) is a chemical compound with molecular formula C9H12ClF3N4 and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-butyl-2-chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine
Also Known As: n4-butyl-2-chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine, 4-N-butyl-2-chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine, N~4~-Butyl-2-chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine
| Molecular Formula | C9H12ClF3N4 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.07025 |
| Heavy Atoms | 17 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 2413-85-6 |
|---|---|
| SMILES | CCCCNC1=NC(=NC(=C1N)C(F)(F)F)Cl |
| InChIKey | OWYNPCBYGKVBPM-UHFFFAOYSA-N |
Product Overview
n4-Butyl-2-chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine (CAS 2413-85-6), with molecular formula C9H12ClF3N4 and molecular weight 268.07 g/mol. IUPAC: 4-N-butyl-2-chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine.
Chemical Property Profile of n4-Butyl-2-chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine
Property Insights of n4-Butyl-2-chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine
The XLogP value of 3.0 indicates that n4-Butyl-2-chloro-6-(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 n4-Butyl-2-chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine. Following Lipinski's Rule of Five, n4-Butyl-2-chloro-6-(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 n4-Butyl-2-chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine?
The CAS number of n4-Butyl-2-chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine is 2413-85-6.
What is the molecular formula of n4-Butyl-2-chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine?
The molecular formula of n4-Butyl-2-chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine is C9H12ClF3N4.
What is the molecular weight of n4-Butyl-2-chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine?
The molecular weight of n4-Butyl-2-chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine is 268.07 g/mol.
Where can I buy n4-Butyl-2-chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine?
You can request a quote for n4-Butyl-2-chloro-6-(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 n4-Butyl-2-chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine?
Yes, KEHONG BIO provides custom synthesis services for n4-Butyl-2-chloro-6-(trifluoromethyl)pyrimidine-4,5-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.