Pyrimidine, 2,4-diamino-5-(m-(trifluoromethoxy)benzyl)-
TL;DR: Pyrimidine, 2,4-diamino-5-(m-(trifluoromethoxy)benzyl)- (CAS 50823-99-9) is a chemical compound with molecular formula C12H11F3N4O and molecular weight 284.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine
Also Known As: Pyrimidine, 2,4-diamino-5-(m-(trifluoromethoxy)benzyl)-, 2,4-Diamino-5-(m-(trifluoromethoxy)benzyl)pyrimidine, 5-25-13-00180 (Beilstein Handbook Reference), 2,4-Diamino-5-[3-trifluoromethoxybenzyl]pyrimidine, 2,4-Pyrimidinediamine, 5-((3-(trifluoromethoxy)phenyl)methyl)-
| Molecular Formula | C12H11F3N4O |
|---|---|
| Molecular Weight | 284.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.0885 |
| Heavy Atoms | 20 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 50823-99-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC(F)(F)F)CC2=CN=C(N=C2N)N |
| InChIKey | MORSQLMVFPANHY-UHFFFAOYSA-N |
Product Overview
Pyrimidine, 2,4-diamino-5-(m-(trifluoromethoxy)benzyl)- (CAS 50823-99-9), with molecular formula C12H11F3N4O and molecular weight 284.09 g/mol. IUPAC: 5-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine.
Chemical Property Profile of Pyrimidine, 2,4-diamino-5-(m-(trifluoromethoxy)benzyl)-
Property Insights of Pyrimidine, 2,4-diamino-5-(m-(trifluoromethoxy)benzyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 2,4-diamino-5-(m-(trifluoromethoxy)benzyl)-. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimidine, 2,4-diamino-5-(m-(trifluoromethoxy)benzyl)-. Following Lipinski's Rule of Five, Pyrimidine, 2,4-diamino-5-(m-(trifluoromethoxy)benzyl)- 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-5-(m-(trifluoromethoxy)benzyl)-?
The CAS number of Pyrimidine, 2,4-diamino-5-(m-(trifluoromethoxy)benzyl)- is 50823-99-9.
What is the molecular formula of Pyrimidine, 2,4-diamino-5-(m-(trifluoromethoxy)benzyl)-?
The molecular formula of Pyrimidine, 2,4-diamino-5-(m-(trifluoromethoxy)benzyl)- is C12H11F3N4O.
What is the molecular weight of Pyrimidine, 2,4-diamino-5-(m-(trifluoromethoxy)benzyl)-?
The molecular weight of Pyrimidine, 2,4-diamino-5-(m-(trifluoromethoxy)benzyl)- is 284.09 g/mol.
Where can I buy Pyrimidine, 2,4-diamino-5-(m-(trifluoromethoxy)benzyl)-?
You can request a quote for Pyrimidine, 2,4-diamino-5-(m-(trifluoromethoxy)benzyl)- 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-5-(m-(trifluoromethoxy)benzyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 2,4-diamino-5-(m-(trifluoromethoxy)benzyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.