TL;DR: 7-methyl-2-[(2-methylpropyl)amino]-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 608497-48-9) is a chemical compound with molecular formula C22H28N4O2S2 and molecular weight 444.16537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[[7-methyl-2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 7-methyl-2-[(2-methylpropyl)amino]-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one, (Z)-5-((2-(isobutylamino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-pentyl-2-thioxothiazolidin-4-one, (5Z)-5-({7-METHYL-2-[(2-METHYLPROPYL)AMINO]-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL}METHYLIDENE)-3-PENTYL-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (5Z)-5-[[7-methyl-2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C22H28N4O2S2 |
| Molecular Weight | 444.16537 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 444.16537 Da |
| Heavy Atoms | 30 |
| Complexity | 912.0 |
| SMILES | CCCCCN1C(=O)/C(=C/C2=C(N=C3C=CC(=CN3C2=O)C)NCC(C)C)/SC1=S |
| InChIKey | RJVORJUGJLEWAM-BOPFTXTBSA-N |
The XLogP value of 4.4 indicates that 7-methyl-2-[(2-methylpropyl)amino]-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-methyl-2-[(2-methylpropyl)amino]-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one. Following Lipinski's Rule of Five, 7-methyl-2-[(2-methylpropyl)amino]-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7-methyl-2-[(2-methylpropyl)amino]-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one is 608497-48-9.
The molecular formula of 7-methyl-2-[(2-methylpropyl)amino]-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one is C22H28N4O2S2.
The molecular weight of 7-methyl-2-[(2-methylpropyl)amino]-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one is 444.16537 g/mol.
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