1-Methyl-2-phenylhexahydropyrimidine
TL;DR: 1-Methyl-2-phenylhexahydropyrimidine (CAS 124821-12-1) is a chemical compound with molecular formula C11H16N2 and molecular weight 176.13135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-2-phenyl-1,3-diazinane
Also Known As: 1-methyl-2-phenyl-1,3-diazinane, 1-Methyl-2-phenylhexahydropyrimidine, Pyrimidine, hexahydro-1-methyl-2-phenyl-, Pyrimidine,hexahydro-1-methyl-2-phenyl
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H16N2 |
| Molecular Weight | 176.13135 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.13135 Da |
| Heavy Atoms | 13 |
| Complexity | 152.0 |
| SMILES | CN1CCCNC1C2=CC=CC=C2 |
| InChIKey | RMGVWNYQWJLGJZ-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methyl-2-phenylhexahydropyrimidine
Property Insights of 1-Methyl-2-phenylhexahydropyrimidine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-2-phenylhexahydropyrimidine. With a topological polar surface area (TPSA) of 15.3 Ų, 1-Methyl-2-phenylhexahydropyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-phenylhexahydropyrimidine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Methyl-2-phenylhexahydropyrimidine?
The CAS number of 1-Methyl-2-phenylhexahydropyrimidine is 124821-12-1.
What is the molecular formula of 1-Methyl-2-phenylhexahydropyrimidine?
The molecular formula of 1-Methyl-2-phenylhexahydropyrimidine is C11H16N2.
What is the molecular weight of 1-Methyl-2-phenylhexahydropyrimidine?
The molecular weight of 1-Methyl-2-phenylhexahydropyrimidine is 176.13135 g/mol.
Where can I buy 1-Methyl-2-phenylhexahydropyrimidine?
You can request a quote for 1-Methyl-2-phenylhexahydropyrimidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methyl-2-phenylhexahydropyrimidine?
Yes, CoreyChem provides custom synthesis services for 1-Methyl-2-phenylhexahydropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.