Pyrimidine, 2,4-diamino-6-ethyl-5-(p-(trifluoromethoxy)phenyl)-
TL;DR: Pyrimidine, 2,4-diamino-6-ethyl-5-(p-(trifluoromethoxy)phenyl)- (CAS 49561-95-7) is a chemical compound with molecular formula C13H13F3N4O and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethyl-5-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
Also Known As: Nivimedone [INN:BAN], Pyrimidine, 2,4-diamino-6-ethyl-5-(p-(trifluoromethoxy)phenyl)-, 5-25-13-00205 (Beilstein Handbook Reference), 2,4-Diamino-6-ethyl-5-(p-(trifluoromethoxy)phenyl)pyrimidine, 6-ethyl-5-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
| Molecular Formula | C13H13F3N4O |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.10416 |
| Heavy Atoms | 21 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 49561-95-7 |
|---|---|
| SMILES | CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)OC(F)(F)F |
| InChIKey | MEJWUWIYHWPDMH-UHFFFAOYSA-N |
Product Overview
Pyrimidine, 2,4-diamino-6-ethyl-5-(p-(trifluoromethoxy)phenyl)- (CAS 49561-95-7), with molecular formula C13H13F3N4O and molecular weight 298.10 g/mol. IUPAC: 6-ethyl-5-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine.
Chemical Property Profile of Pyrimidine, 2,4-diamino-6-ethyl-5-(p-(trifluoromethoxy)phenyl)-
Property Insights of Pyrimidine, 2,4-diamino-6-ethyl-5-(p-(trifluoromethoxy)phenyl)-
The XLogP value of 3.2 indicates that Pyrimidine, 2,4-diamino-6-ethyl-5-(p-(trifluoromethoxy)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimidine, 2,4-diamino-6-ethyl-5-(p-(trifluoromethoxy)phenyl)-. Following Lipinski's Rule of Five, Pyrimidine, 2,4-diamino-6-ethyl-5-(p-(trifluoromethoxy)phenyl)- has 2 hydrogen bond donor(s) and 8 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 Pyrimidine, 2,4-diamino-6-ethyl-5-(p-(trifluoromethoxy)phenyl)-?
The CAS number of Pyrimidine, 2,4-diamino-6-ethyl-5-(p-(trifluoromethoxy)phenyl)- is 49561-95-7.
What is the molecular formula of Pyrimidine, 2,4-diamino-6-ethyl-5-(p-(trifluoromethoxy)phenyl)-?
The molecular formula of Pyrimidine, 2,4-diamino-6-ethyl-5-(p-(trifluoromethoxy)phenyl)- is C13H13F3N4O.
What is the molecular weight of Pyrimidine, 2,4-diamino-6-ethyl-5-(p-(trifluoromethoxy)phenyl)-?
The molecular weight of Pyrimidine, 2,4-diamino-6-ethyl-5-(p-(trifluoromethoxy)phenyl)- is 298.10 g/mol.
Where can I buy Pyrimidine, 2,4-diamino-6-ethyl-5-(p-(trifluoromethoxy)phenyl)-?
You can request a quote for Pyrimidine, 2,4-diamino-6-ethyl-5-(p-(trifluoromethoxy)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine, 2,4-diamino-6-ethyl-5-(p-(trifluoromethoxy)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 2,4-diamino-6-ethyl-5-(p-(trifluoromethoxy)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.