2,3-Diamino-5-bromo-6-(trifluoromethyl)pyrimidin-4(3H)-one
TL;DR: 2,3-Diamino-5-bromo-6-(trifluoromethyl)pyrimidin-4(3H)-one (CAS 95095-46-8) is a chemical compound with molecular formula C5H4BrF3N4O and molecular weight 271.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-diamino-5-bromo-6-(trifluoromethyl)pyrimidin-4-one
Also Known As: 2,3-diamino-5-bromo-6-(trifluoromethyl)-4(3H)-pyrimidinone, 2,3-Diamino-5-bromo-6-(trifluoromethyl)pyrimidin-4(3H)-one, 2,3-diamino-5-bromo-6-(trifluoromethyl)pyrimidin-4-one, diaminobromotrifluoromethylpyrimidinone, 2,3,5-TRIIODO-BENZOYLCHLORIDE
| Molecular Formula | C5H4BrF3N4O |
|---|---|
| Molecular Weight | 271.95 g/mol |
| LogP | 0.3206 |
| Topological Polar Surface Area | 86.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 271.95206 |
| Heavy Atoms | 14 |
| Complexity | 426.21054 |
Chemical Identifiers
| CAS Number | 95095-46-8 |
|---|---|
| SMILES | C1(=C(N=C(N(C1=O)N)N)C(F)(F)F)Br |
Product Overview
2,3-Diamino-5-bromo-6-(trifluoromethyl)pyrimidin-4(3H)-one (CAS 95095-46-8), with molecular formula C5H4BrF3N4O and molecular weight 271.95 g/mol. IUPAC: 2,3-diamino-5-bromo-6-(trifluoromethyl)pyrimidin-4-one.
Chemical Property Profile of 2,3-Diamino-5-bromo-6-(trifluoromethyl)pyrimidin-4(3H)-one
Property Insights of 2,3-Diamino-5-bromo-6-(trifluoromethyl)pyrimidin-4(3H)-one
The XLogP value of 0.3206 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Diamino-5-bromo-6-(trifluoromethyl)pyrimidin-4(3H)-one. The TPSA of 86.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Diamino-5-bromo-6-(trifluoromethyl)pyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 2,3-Diamino-5-bromo-6-(trifluoromethyl)pyrimidin-4(3H)-one has 2 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-Diamino-5-bromo-6-(trifluoromethyl)pyrimidin-4(3H)-one?
The CAS number of 2,3-Diamino-5-bromo-6-(trifluoromethyl)pyrimidin-4(3H)-one is 95095-46-8.
What is the molecular formula of 2,3-Diamino-5-bromo-6-(trifluoromethyl)pyrimidin-4(3H)-one?
The molecular formula of 2,3-Diamino-5-bromo-6-(trifluoromethyl)pyrimidin-4(3H)-one is C5H4BrF3N4O.
What is the molecular weight of 2,3-Diamino-5-bromo-6-(trifluoromethyl)pyrimidin-4(3H)-one?
The molecular weight of 2,3-Diamino-5-bromo-6-(trifluoromethyl)pyrimidin-4(3H)-one is 271.95 g/mol.
Where can I buy 2,3-Diamino-5-bromo-6-(trifluoromethyl)pyrimidin-4(3H)-one?
You can request a quote for 2,3-Diamino-5-bromo-6-(trifluoromethyl)pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Diamino-5-bromo-6-(trifluoromethyl)pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Diamino-5-bromo-6-(trifluoromethyl)pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.