![(Z)-8-(((1-(sec-butyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-methyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione structure](/static/products/906/906261-61-8.png)
(Z)-8-(((1-(sec-butyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-methyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione
TL;DR: (Z)-8-(((1-(sec-butyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-methyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione (CAS 906261-61-8) is a chemical compound with molecular formula C25H29N7O6 and molecular weight 523.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8'-[(1-butan-2-yl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]-3'-methylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
Also Known As: (Z)-8-(((1-(sec-butyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-methyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione, (5Z)-3-(butan-2-yl)-5-{[(2',6'-dihydroxy-3-methyl-4'-oxo-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione, 8'-[(1-butan-2-yl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]-3'-methylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione, 8'-[[(Z)-(1-butan-2-yl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino]-3'-methylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
| Molecular Formula | C25H29N7O6 |
|---|---|
| Molecular Weight | 523.22 g/mol |
| LogP | -0.0073 |
| Topological Polar Surface Area | 169.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 523.21796 |
| Heavy Atoms | 38 |
| Complexity | 1471.9951 |
Chemical Identifiers
| CAS Number | 906261-61-8 |
|---|---|
| SMILES | CCC(C)N1C(=C(C(=O)NC1=O)C=NC2=CC3=C(C=C2)N4CCN(CC4C5(C3)C(=O)NC(=O)NC5=O)C)O |
Product Overview
(Z)-8-(((1-(sec-butyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-methyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione (CAS 906261-61-8), with molecular formula C25H29N7O6 and molecular weight 523.22 g/mol. IUPAC: 8'-[(1-butan-2-yl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]-3'-methylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione.
Chemical Property Profile of (Z)-8-(((1-(sec-butyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-methyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione
Property Insights of (Z)-8-(((1-(sec-butyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-methyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione
The XLogP value of -0.0073 indicates that (Z)-8-(((1-(sec-butyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-methyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 169.2 Ų indicates high polarity, suggesting (Z)-8-(((1-(sec-butyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-methyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-8-(((1-(sec-butyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-methyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-8-(((1-(sec-butyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-methyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione?
The CAS number of (Z)-8-(((1-(sec-butyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-methyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione is 906261-61-8.
What is the molecular formula of (Z)-8-(((1-(sec-butyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-methyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione?
The molecular formula of (Z)-8-(((1-(sec-butyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-methyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione is C25H29N7O6.
What is the molecular weight of (Z)-8-(((1-(sec-butyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-methyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione?
The molecular weight of (Z)-8-(((1-(sec-butyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-methyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione is 523.22 g/mol.
Where can I buy (Z)-8-(((1-(sec-butyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-methyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione?
You can request a quote for (Z)-8-(((1-(sec-butyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-methyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-8-(((1-(sec-butyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-methyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (Z)-8-(((1-(sec-butyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-3-methyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.