5-Butyl-4,6-pyrimidinediol
TL;DR: 5-Butyl-4,6-pyrimidinediol (CAS 3974-12-7) is a chemical compound with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-4-hydroxy-1H-pyrimidin-6-one
Also Known As: 5-butyl-4,6-pyrimidinediol, 5-butylpyrimidine-4,6-diol, 5-butyl-4-hydroxy-1H-pyrimidin-6-one, pyrimidine, 5-butyl-4,6-dihydroxy-, 5-butyl-6-hydroxypyrimidin-4(3H)-one
| Molecular Formula | C8H12N2O2 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | 0.8181 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.08987 |
| Heavy Atoms | 12 |
| Complexity | 306.17133 |
Chemical Identifiers
| CAS Number | 3974-12-7 |
|---|---|
| SMILES | CCCCC1=C(N=CNC1=O)O |
Product Overview
5-Butyl-4,6-pyrimidinediol (CAS 3974-12-7), with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol. IUPAC: 5-butyl-4-hydroxy-1H-pyrimidin-6-one.
Chemical Property Profile of 5-Butyl-4,6-pyrimidinediol
Property Insights of 5-Butyl-4,6-pyrimidinediol
The XLogP value of 0.8181 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Butyl-4,6-pyrimidinediol. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Butyl-4,6-pyrimidinediol. Following Lipinski's Rule of Five, 5-Butyl-4,6-pyrimidinediol 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
Frequently Asked Questions
What is the CAS number of 5-Butyl-4,6-pyrimidinediol?
The CAS number of 5-Butyl-4,6-pyrimidinediol is 3974-12-7.
What is the molecular formula of 5-Butyl-4,6-pyrimidinediol?
The molecular formula of 5-Butyl-4,6-pyrimidinediol is C8H12N2O2.
What is the molecular weight of 5-Butyl-4,6-pyrimidinediol?
The molecular weight of 5-Butyl-4,6-pyrimidinediol is 168.09 g/mol.
Where can I buy 5-Butyl-4,6-pyrimidinediol?
You can request a quote for 5-Butyl-4,6-pyrimidinediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Butyl-4,6-pyrimidinediol?
Yes, KEHONG BIO provides custom synthesis services for 5-Butyl-4,6-pyrimidinediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.