TL;DR: 1-(4-methylphenyl)-6-propan-2-yl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (CAS 879576-40-6) is a chemical compound with molecular formula C16H20N4O2 and molecular weight 300.15863 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methylphenyl)-6-propan-2-yl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: 1-(4-methylphenyl)-6-propan-2-yl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione, 5-(4-methylphenyl)-9-propan-2-yl-3,5,7,9-tetrazabicyclo[4.4.0]dec-11-ene-2,4-dione, 6-isopropyl-1-(p-tolyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1-(4-METHYLPHENYL)-6-(PROPAN-2-YL)-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]DIAZINO[4,5-D]PYRIMIDINE-2,4-DIONE, 2-hydroxy-1-(4-methylphenyl)-6-(propan-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
| Molecular Formula | C16H20N4O2 |
| Molecular Weight | 300.15863 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 64.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.15863 Da |
| Heavy Atoms | 22 |
| Complexity | 506.0 |
| SMILES | CC1=CC=C(C=C1)N2C3=C(CN(CN3)C(C)C)C(=O)NC2=O |
| InChIKey | MYFSMCULSBYFMI-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-methylphenyl)-6-propan-2-yl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-methylphenyl)-6-propan-2-yl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 1-(4-methylphenyl)-6-propan-2-yl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4-methylphenyl)-6-propan-2-yl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is 879576-40-6.
The molecular formula of 1-(4-methylphenyl)-6-propan-2-yl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is C16H20N4O2.
The molecular weight of 1-(4-methylphenyl)-6-propan-2-yl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is 300.15863 g/mol.
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