6-Chloro-4-cyclopropyl-4-(2-pyrimidin-5-ylethynyl)-1,3-dihydroquinazolin-2-one
TL;DR: 6-Chloro-4-cyclopropyl-4-(2-pyrimidin-5-ylethynyl)-1,3-dihydroquinazolin-2-one (CAS 153800-12-5) is a chemical compound with molecular formula C17H13ClN4O and molecular weight 324.0778 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-4-cyclopropyl-4-(2-pyrimidin-5-ylethynyl)-1,3-dihydroquinazolin-2-one
Also Known As: 3,4-Dihydroquinazolinon 4e, Quinazol2one, c-Pr Pyrim-ethyn deriv., 6-chloro-4-cyclopropyl-4-(2-pyrimidin-5-ylethynyl)-1,3-dihydroquinazolin-2-one, 6-chloro-4-cyclopropyl-4-[2-(pyrimidin-5-yl)ethynyl]-1,2,3,4-tetrahydroquinazolin-2-one, 3,4-Dihydro-6-chloro-4-cyclopropyl-4-[(pyrimidin-5-yl)ethynyl]quinazolin-2(1H)-one
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H13ClN4O |
| Molecular Weight | 324.0778 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 66.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.0778 Da |
| Heavy Atoms | 23 |
| Complexity | 545.0 |
| SMILES | C1CC1C2(C3=C(C=CC(=C3)Cl)NC(=O)N2)C#CC4=CN=CN=C4 |
| InChIKey | HVBIKFMINXGRGX-UHFFFAOYSA-N |
Chemical Property Profile of 6-Chloro-4-cyclopropyl-4-(2-pyrimidin-5-ylethynyl)-1,3-dihydroquinazolin-2-one
Property Insights of 6-Chloro-4-cyclopropyl-4-(2-pyrimidin-5-ylethynyl)-1,3-dihydroquinazolin-2-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-4-cyclopropyl-4-(2-pyrimidin-5-ylethynyl)-1,3-dihydroquinazolin-2-one. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-4-cyclopropyl-4-(2-pyrimidin-5-ylethynyl)-1,3-dihydroquinazolin-2-one. Following Lipinski's Rule of Five, 6-Chloro-4-cyclopropyl-4-(2-pyrimidin-5-ylethynyl)-1,3-dihydroquinazolin-2-one has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-Chloro-4-cyclopropyl-4-(2-pyrimidin-5-ylethynyl)-1,3-dihydroquinazolin-2-one?
The CAS number of 6-Chloro-4-cyclopropyl-4-(2-pyrimidin-5-ylethynyl)-1,3-dihydroquinazolin-2-one is 153800-12-5.
What is the molecular formula of 6-Chloro-4-cyclopropyl-4-(2-pyrimidin-5-ylethynyl)-1,3-dihydroquinazolin-2-one?
The molecular formula of 6-Chloro-4-cyclopropyl-4-(2-pyrimidin-5-ylethynyl)-1,3-dihydroquinazolin-2-one is C17H13ClN4O.
What is the molecular weight of 6-Chloro-4-cyclopropyl-4-(2-pyrimidin-5-ylethynyl)-1,3-dihydroquinazolin-2-one?
The molecular weight of 6-Chloro-4-cyclopropyl-4-(2-pyrimidin-5-ylethynyl)-1,3-dihydroquinazolin-2-one is 324.0778 g/mol.
Where can I buy 6-Chloro-4-cyclopropyl-4-(2-pyrimidin-5-ylethynyl)-1,3-dihydroquinazolin-2-one?
You can request a quote for 6-Chloro-4-cyclopropyl-4-(2-pyrimidin-5-ylethynyl)-1,3-dihydroquinazolin-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Chloro-4-cyclopropyl-4-(2-pyrimidin-5-ylethynyl)-1,3-dihydroquinazolin-2-one?
Yes, CoreyChem provides custom synthesis services for 6-Chloro-4-cyclopropyl-4-(2-pyrimidin-5-ylethynyl)-1,3-dihydroquinazolin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.