![1-butyl-5-[(cyclopropylamino)methylidene]-1,3-diazinane-2,4,6-trione structure](/static/products/577/577997-74-1.png)
1-butyl-5-[(cyclopropylamino)methylidene]-1,3-diazinane-2,4,6-trione
TL;DR: 1-butyl-5-[(cyclopropylamino)methylidene]-1,3-diazinane-2,4,6-trione (CAS 577997-74-1) is a chemical compound with molecular formula C12H17N3O3 and molecular weight 251.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-5-(cyclopropyliminomethyl)-6-hydroxypyrimidine-2,4-dione
Also Known As: 1-butyl-5-[(cyclopropylamino)methylidene]-1,3-diazinane-2,4,6-trione, (5E)-1-butyl-5-[(cyclopropylamino)methylidene]-1,3-diazinane-2,4,6-trione, (5E)-3-butyl-5-[(cyclopropylamino)methylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione, (E)-1-butyl-5-((cyclopropylamino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C12H17N3O3 |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 0.6236 |
| Topological Polar Surface Area | 87.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.127 |
| Heavy Atoms | 18 |
| Complexity | 566.9109 |
Chemical Identifiers
| CAS Number | 577997-74-1 |
|---|---|
| SMILES | CCCCN1C(=C(C(=O)NC1=O)C=NC2CC2)O |
Product Overview
1-butyl-5-[(cyclopropylamino)methylidene]-1,3-diazinane-2,4,6-trione (CAS 577997-74-1), with molecular formula C12H17N3O3 and molecular weight 251.13 g/mol. IUPAC: 1-butyl-5-(cyclopropyliminomethyl)-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of 1-butyl-5-[(cyclopropylamino)methylidene]-1,3-diazinane-2,4,6-trione
Property Insights of 1-butyl-5-[(cyclopropylamino)methylidene]-1,3-diazinane-2,4,6-trione
The XLogP value of 0.6236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-butyl-5-[(cyclopropylamino)methylidene]-1,3-diazinane-2,4,6-trione. The TPSA of 87.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-butyl-5-[(cyclopropylamino)methylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 1-butyl-5-[(cyclopropylamino)methylidene]-1,3-diazinane-2,4,6-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 1-butyl-5-[(cyclopropylamino)methylidene]-1,3-diazinane-2,4,6-trione?
The CAS number of 1-butyl-5-[(cyclopropylamino)methylidene]-1,3-diazinane-2,4,6-trione is 577997-74-1.
What is the molecular formula of 1-butyl-5-[(cyclopropylamino)methylidene]-1,3-diazinane-2,4,6-trione?
The molecular formula of 1-butyl-5-[(cyclopropylamino)methylidene]-1,3-diazinane-2,4,6-trione is C12H17N3O3.
What is the molecular weight of 1-butyl-5-[(cyclopropylamino)methylidene]-1,3-diazinane-2,4,6-trione?
The molecular weight of 1-butyl-5-[(cyclopropylamino)methylidene]-1,3-diazinane-2,4,6-trione is 251.13 g/mol.
Where can I buy 1-butyl-5-[(cyclopropylamino)methylidene]-1,3-diazinane-2,4,6-trione?
You can request a quote for 1-butyl-5-[(cyclopropylamino)methylidene]-1,3-diazinane-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-butyl-5-[(cyclopropylamino)methylidene]-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 1-butyl-5-[(cyclopropylamino)methylidene]-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.