1-(3-Methylbutyl)pyrimidine-2,4-dione
TL;DR: 1-(3-Methylbutyl)pyrimidine-2,4-dione (CAS 13345-71-6) is a chemical compound with molecular formula C9H14N2O2 and molecular weight 182.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-methylbutyl)pyrimidine-2,4-dione
Also Known As: 1-(3-methylbutyl)pyrimidine-2,4-dione, 1-(3-Methylbutyl)pyrimidine-2,4(1H,3H)-dione
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H14N2O2 |
| Molecular Weight | 182.10553 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.10553 Da |
| Heavy Atoms | 13 |
| Complexity | 246.0 |
| SMILES | CC(C)CCN1C=CC(=O)NC1=O |
| InChIKey | BGKCWOKVSFXENS-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Methylbutyl)pyrimidine-2,4-dione
Property Insights of 1-(3-Methylbutyl)pyrimidine-2,4-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methylbutyl)pyrimidine-2,4-dione. With a topological polar surface area (TPSA) of 49.4 Ų, 1-(3-Methylbutyl)pyrimidine-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methylbutyl)pyrimidine-2,4-dione 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-(3-Methylbutyl)pyrimidine-2,4-dione?
The CAS number of 1-(3-Methylbutyl)pyrimidine-2,4-dione is 13345-71-6.
What is the molecular formula of 1-(3-Methylbutyl)pyrimidine-2,4-dione?
The molecular formula of 1-(3-Methylbutyl)pyrimidine-2,4-dione is C9H14N2O2.
What is the molecular weight of 1-(3-Methylbutyl)pyrimidine-2,4-dione?
The molecular weight of 1-(3-Methylbutyl)pyrimidine-2,4-dione is 182.10553 g/mol.
Where can I buy 1-(3-Methylbutyl)pyrimidine-2,4-dione?
You can request a quote for 1-(3-Methylbutyl)pyrimidine-2,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Methylbutyl)pyrimidine-2,4-dione?
Yes, CoreyChem provides custom synthesis services for 1-(3-Methylbutyl)pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.