5-Butyl-2-methyl-pyrimidine-4,6-diol
TL;DR: 5-Butyl-2-methyl-pyrimidine-4,6-diol (CAS 72790-00-2) is a chemical compound with molecular formula C9H14N2O2 and molecular weight 182.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one
Also Known As: 5-butyl-2-methylpyrimidine-4,6-diol, 5-BUTYL-2-METHYL-PYRIMIDINE-4,6-DIOL, 5-butyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one, 5-butyl-6-hydroxy-2-methyl-3H-pyrimidin-4-one, 5-Butyl-6-hydroxy-2-methylpyrimidin-4(3H)-one
| Molecular Formula | C9H14N2O2 |
|---|---|
| Molecular Weight | 182.11 g/mol |
| LogP | 1.12652 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.10553 |
| Heavy Atoms | 13 |
| Complexity | 343.9582 |
Chemical Identifiers
| CAS Number | 72790-00-2 |
|---|---|
| SMILES | CCCCC1=C(N=C(NC1=O)C)O |
Product Overview
5-Butyl-2-methyl-pyrimidine-4,6-diol (CAS 72790-00-2), with molecular formula C9H14N2O2 and molecular weight 182.11 g/mol. IUPAC: 5-butyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one.
Chemical Property Profile of 5-Butyl-2-methyl-pyrimidine-4,6-diol
Property Insights of 5-Butyl-2-methyl-pyrimidine-4,6-diol
The XLogP value of 1.12652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Butyl-2-methyl-pyrimidine-4,6-diol. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Butyl-2-methyl-pyrimidine-4,6-diol. Following Lipinski's Rule of Five, 5-Butyl-2-methyl-pyrimidine-4,6-diol 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-2-methyl-pyrimidine-4,6-diol?
The CAS number of 5-Butyl-2-methyl-pyrimidine-4,6-diol is 72790-00-2.
What is the molecular formula of 5-Butyl-2-methyl-pyrimidine-4,6-diol?
The molecular formula of 5-Butyl-2-methyl-pyrimidine-4,6-diol is C9H14N2O2.
What is the molecular weight of 5-Butyl-2-methyl-pyrimidine-4,6-diol?
The molecular weight of 5-Butyl-2-methyl-pyrimidine-4,6-diol is 182.11 g/mol.
Where can I buy 5-Butyl-2-methyl-pyrimidine-4,6-diol?
You can request a quote for 5-Butyl-2-methyl-pyrimidine-4,6-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Butyl-2-methyl-pyrimidine-4,6-diol?
Yes, KEHONG BIO provides custom synthesis services for 5-Butyl-2-methyl-pyrimidine-4,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.