(E)-5-(((3-(dimethylamino)propyl)amino)methylene)-1-isopropyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (E)-5-(((3-(dimethylamino)propyl)amino)methylene)-1-isopropyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 861147-58-2) is a chemical compound with molecular formula C13H22N4O2S and molecular weight 298.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(dimethylamino)propyliminomethyl]-6-hydroxy-1-propan-2-yl-2-sulfanylidenepyrimidin-4-one
Also Known As: (E)-5-(((3-(dimethylamino)propyl)amino)methylene)-1-isopropyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-[[3-(dimethylamino)propylamino]methylidene]-1-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-5-[[3-(dimethylamino)propylamino]methylidene]-1-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-[(3-dimethylaminopropylamino)methylidene]-1-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-[[3-(dimethylamino)propylamino]methylidene]-1-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C13H22N4O2S |
|---|---|
| Molecular Weight | 298.15 g/mol |
| LogP | 1.56299 |
| Topological Polar Surface Area | 73.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.14636 |
| Heavy Atoms | 20 |
| Complexity | 587.01447 |
Chemical Identifiers
| CAS Number | 861147-58-2 |
|---|---|
| SMILES | CC(C)N1C(=C(C(=O)NC1=S)C=NCCCN(C)C)O |
Product Overview
(E)-5-(((3-(dimethylamino)propyl)amino)methylene)-1-isopropyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 861147-58-2), with molecular formula C13H22N4O2S and molecular weight 298.15 g/mol. IUPAC: 5-[3-(dimethylamino)propyliminomethyl]-6-hydroxy-1-propan-2-yl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (E)-5-(((3-(dimethylamino)propyl)amino)methylene)-1-isopropyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (E)-5-(((3-(dimethylamino)propyl)amino)methylene)-1-isopropyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 1.56299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-(((3-(dimethylamino)propyl)amino)methylene)-1-isopropyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. The TPSA of 73.62 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(((3-(dimethylamino)propyl)amino)methylene)-1-isopropyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (E)-5-(((3-(dimethylamino)propyl)amino)methylene)-1-isopropyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 2 hydrogen bond donor(s) and 5 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 (E)-5-(((3-(dimethylamino)propyl)amino)methylene)-1-isopropyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (E)-5-(((3-(dimethylamino)propyl)amino)methylene)-1-isopropyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 861147-58-2.
What is the molecular formula of (E)-5-(((3-(dimethylamino)propyl)amino)methylene)-1-isopropyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (E)-5-(((3-(dimethylamino)propyl)amino)methylene)-1-isopropyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C13H22N4O2S.
What is the molecular weight of (E)-5-(((3-(dimethylamino)propyl)amino)methylene)-1-isopropyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (E)-5-(((3-(dimethylamino)propyl)amino)methylene)-1-isopropyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 298.15 g/mol.
Where can I buy (E)-5-(((3-(dimethylamino)propyl)amino)methylene)-1-isopropyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (E)-5-(((3-(dimethylamino)propyl)amino)methylene)-1-isopropyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-(((3-(dimethylamino)propyl)amino)methylene)-1-isopropyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(((3-(dimethylamino)propyl)amino)methylene)-1-isopropyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.