Pyrimido(5,4-d)pyrimidin-4-amine, N-methyl-N-(phenylmethyl)-6-(1-piperazinyl)-8-(4-thiomorpholinyl)-, S-oxide
TL;DR: Pyrimido(5,4-d)pyrimidin-4-amine, N-methyl-N-(phenylmethyl)-6-(1-piperazinyl)-8-(4-thiomorpholinyl)-, S-oxide (CAS 78552-31-5) is a chemical compound with molecular formula C22H28N8OS and molecular weight 452.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-8-amine
Also Known As: Pyrimido(5,4-d)pyrimidin-4-amine, N-methyl-N-(phenylmethyl)-6-(1-piperazinyl)-8-(4-thiomorpholinyl)-, S-oxide, 4-{8-[Benzyl(methyl)amino]-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-yl}-1lambda~4~-thiomorpholin-1-one, 8-(N-Benzyl-methylamino)-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido-[5,4-d]-pyrimidine, N-benzyl-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-8-amine, RefChem:377783
| Molecular Formula | C22H28N8OS |
|---|---|
| Molecular Weight | 452.21 g/mol |
| LogP | 1.0345 |
| Topological Polar Surface Area | 90.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.2107 |
| Heavy Atoms | 32 |
| Complexity | 1095.786 |
Chemical Identifiers
| CAS Number | 78552-31-5 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)C2=NC=NC3=C2N=C(N=C3N4CCS(=O)CC4)N5CCNCC5 |
Product Overview
Pyrimido(5,4-d)pyrimidin-4-amine, N-methyl-N-(phenylmethyl)-6-(1-piperazinyl)-8-(4-thiomorpholinyl)-, S-oxide (CAS 78552-31-5), with molecular formula C22H28N8OS and molecular weight 452.21 g/mol. IUPAC: N-benzyl-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-8-amine.
Chemical Property Profile of Pyrimido(5,4-d)pyrimidin-4-amine, N-methyl-N-(phenylmethyl)-6-(1-piperazinyl)-8-(4-thiomorpholinyl)-, S-oxide
Property Insights of Pyrimido(5,4-d)pyrimidin-4-amine, N-methyl-N-(phenylmethyl)-6-(1-piperazinyl)-8-(4-thiomorpholinyl)-, S-oxide
The XLogP value of 1.0345 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimido(5,4-d)pyrimidin-4-amine, N-methyl-N-(phenylmethyl)-6-(1-piperazinyl)-8-(4-thiomorpholinyl)-, S-oxide. The TPSA of 90.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimido(5,4-d)pyrimidin-4-amine, N-methyl-N-(phenylmethyl)-6-(1-piperazinyl)-8-(4-thiomorpholinyl)-, S-oxide. Following Lipinski's Rule of Five, Pyrimido(5,4-d)pyrimidin-4-amine, N-methyl-N-(phenylmethyl)-6-(1-piperazinyl)-8-(4-thiomorpholinyl)-, S-oxide has 1 hydrogen bond donor(s) and 9 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 Pyrimido(5,4-d)pyrimidin-4-amine, N-methyl-N-(phenylmethyl)-6-(1-piperazinyl)-8-(4-thiomorpholinyl)-, S-oxide?
The CAS number of Pyrimido(5,4-d)pyrimidin-4-amine, N-methyl-N-(phenylmethyl)-6-(1-piperazinyl)-8-(4-thiomorpholinyl)-, S-oxide is 78552-31-5.
What is the molecular formula of Pyrimido(5,4-d)pyrimidin-4-amine, N-methyl-N-(phenylmethyl)-6-(1-piperazinyl)-8-(4-thiomorpholinyl)-, S-oxide?
The molecular formula of Pyrimido(5,4-d)pyrimidin-4-amine, N-methyl-N-(phenylmethyl)-6-(1-piperazinyl)-8-(4-thiomorpholinyl)-, S-oxide is C22H28N8OS.
What is the molecular weight of Pyrimido(5,4-d)pyrimidin-4-amine, N-methyl-N-(phenylmethyl)-6-(1-piperazinyl)-8-(4-thiomorpholinyl)-, S-oxide?
The molecular weight of Pyrimido(5,4-d)pyrimidin-4-amine, N-methyl-N-(phenylmethyl)-6-(1-piperazinyl)-8-(4-thiomorpholinyl)-, S-oxide is 452.21 g/mol.
Where can I buy Pyrimido(5,4-d)pyrimidin-4-amine, N-methyl-N-(phenylmethyl)-6-(1-piperazinyl)-8-(4-thiomorpholinyl)-, S-oxide?
You can request a quote for Pyrimido(5,4-d)pyrimidin-4-amine, N-methyl-N-(phenylmethyl)-6-(1-piperazinyl)-8-(4-thiomorpholinyl)-, S-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimido(5,4-d)pyrimidin-4-amine, N-methyl-N-(phenylmethyl)-6-(1-piperazinyl)-8-(4-thiomorpholinyl)-, S-oxide?
Yes, KEHONG BIO provides custom synthesis services for Pyrimido(5,4-d)pyrimidin-4-amine, N-methyl-N-(phenylmethyl)-6-(1-piperazinyl)-8-(4-thiomorpholinyl)-, S-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.