5-(((3-(diethylamino)propyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-(((3-(diethylamino)propyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 674363-50-9) is a chemical compound with molecular formula C12H20N4O2S and molecular weight 284.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-(((3-(diethylamino)propyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[(3-diethylaminopropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-[[3-(diethylamino)propylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-5-({[3-(diethylamino)propyl]amino}methylidene)-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one
| Molecular Formula | C12H20N4O2S |
|---|---|
| Molecular Weight | 284.13 g/mol |
| LogP | 1.28889 |
| Topological Polar Surface Area | 84.48 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 284.1307 |
| Heavy Atoms | 19 |
| Complexity | 531.2663 |
Chemical Identifiers
| CAS Number | 674363-50-9 |
|---|---|
| SMILES | CCN(CC)CCCN=CC1=C(NC(=S)NC1=O)O |
Product Overview
5-(((3-(diethylamino)propyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 674363-50-9), with molecular formula C12H20N4O2S and molecular weight 284.13 g/mol. IUPAC: 5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-(((3-(diethylamino)propyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-(((3-(diethylamino)propyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 1.28889 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(((3-(diethylamino)propyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. The TPSA of 84.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(((3-(diethylamino)propyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, 5-(((3-(diethylamino)propyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 3 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 5-(((3-(diethylamino)propyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-(((3-(diethylamino)propyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 674363-50-9.
What is the molecular formula of 5-(((3-(diethylamino)propyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-(((3-(diethylamino)propyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C12H20N4O2S.
What is the molecular weight of 5-(((3-(diethylamino)propyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-(((3-(diethylamino)propyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 284.13 g/mol.
Where can I buy 5-(((3-(diethylamino)propyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-(((3-(diethylamino)propyl)amino)methylene)-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 5-(((3-(diethylamino)propyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(((3-(diethylamino)propyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.