(Z)-1-(tert-butyl)-5-(((1-phenylethyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (Z)-1-(tert-butyl)-5-(((1-phenylethyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 577997-60-5) is a chemical compound with molecular formula C17H21N3O3 and molecular weight 315.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-6-hydroxy-5-(1-phenylethyliminomethyl)pyrimidine-2,4-dione
Also Known As: (Z)-1-(tert-butyl)-5-(((1-phenylethyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, 1-tert-butyl-5-[(1-phenylethylamino)methylidene]-1,3-diazinane-2,4,6-trione, 5-[(1-phenylethylamino)methylidene]-1-tert-butyl-1,3-diazinane-2,4,6-trione, (5Z)-3-tert-butyl-6-hydroxy-5-{[(1-phenylethyl)amino]methylidene}pyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C17H21N3O3 |
|---|---|
| Molecular Weight | 315.16 g/mol |
| LogP | 2.1773 |
| Topological Polar Surface Area | 87.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.1583 |
| Heavy Atoms | 23 |
| Complexity | 826.8877 |
Chemical Identifiers
| CAS Number | 577997-60-5 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)N=CC2=C(N(C(=O)NC2=O)C(C)(C)C)O |
Product Overview
(Z)-1-(tert-butyl)-5-(((1-phenylethyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 577997-60-5), with molecular formula C17H21N3O3 and molecular weight 315.16 g/mol. IUPAC: 1-tert-butyl-6-hydroxy-5-(1-phenylethyliminomethyl)pyrimidine-2,4-dione.
Chemical Property Profile of (Z)-1-(tert-butyl)-5-(((1-phenylethyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (Z)-1-(tert-butyl)-5-(((1-phenylethyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 2.1773 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-1-(tert-butyl)-5-(((1-phenylethyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 87.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-1-(tert-butyl)-5-(((1-phenylethyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (Z)-1-(tert-butyl)-5-(((1-phenylethyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione 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 (Z)-1-(tert-butyl)-5-(((1-phenylethyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (Z)-1-(tert-butyl)-5-(((1-phenylethyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is 577997-60-5.
What is the molecular formula of (Z)-1-(tert-butyl)-5-(((1-phenylethyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (Z)-1-(tert-butyl)-5-(((1-phenylethyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is C17H21N3O3.
What is the molecular weight of (Z)-1-(tert-butyl)-5-(((1-phenylethyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (Z)-1-(tert-butyl)-5-(((1-phenylethyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is 315.16 g/mol.
Where can I buy (Z)-1-(tert-butyl)-5-(((1-phenylethyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (Z)-1-(tert-butyl)-5-(((1-phenylethyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-1-(tert-butyl)-5-(((1-phenylethyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (Z)-1-(tert-butyl)-5-(((1-phenylethyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.