4-Pyrimidinol, 5-butyl-
TL;DR: 4-Pyrimidinol, 5-butyl- (CAS 103980-59-2) is a chemical compound with molecular formula C8H12N2O and molecular weight 152.09496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-butyl-1H-pyrimidin-6-one
Also Known As: 5-Butyl-4-pyrimidinol, 4-Pyrimidinol, 5-butyl-, 5-butylpyrimidin-4-ol, 5-butyl-1H-pyrimidin-6-one, 5-Butylpyrimidin-4(3H)-one
Technical Specifications
| Molecular Formula | C8H12N2O |
| Molecular Weight | 152.09496 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.09496 Da |
| Heavy Atoms | 11 |
| Complexity | 206.0 |
| SMILES | CCCCC1=CN=CNC1=O |
| InChIKey | XDCIBZVFAIWWIE-UHFFFAOYSA-N |
Chemical Property Profile of 4-Pyrimidinol, 5-butyl-
Property Insights of 4-Pyrimidinol, 5-butyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyrimidinol, 5-butyl-. With a topological polar surface area (TPSA) of 41.5 Ų, 4-Pyrimidinol, 5-butyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pyrimidinol, 5-butyl- 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 4-Pyrimidinol, 5-butyl-?
The CAS number of 4-Pyrimidinol, 5-butyl- is 103980-59-2.
What is the molecular formula of 4-Pyrimidinol, 5-butyl-?
The molecular formula of 4-Pyrimidinol, 5-butyl- is C8H12N2O.
What is the molecular weight of 4-Pyrimidinol, 5-butyl-?
The molecular weight of 4-Pyrimidinol, 5-butyl- is 152.09496 g/mol.
Where can I buy 4-Pyrimidinol, 5-butyl-?
You can request a quote for 4-Pyrimidinol, 5-butyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Pyrimidinol, 5-butyl-?
Yes, CoreyChem provides custom synthesis services for 4-Pyrimidinol, 5-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.