5-Pyrimidinol, 2-(1,1-dimethylethyl)-
TL;DR: 5-Pyrimidinol, 2-(1,1-dimethylethyl)- (CAS 85929-96-0) is a chemical compound with molecular formula C8H12N2O and molecular weight 152.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butylpyrimidin-5-ol
Also Known As: 2-tert-butylpyrimidin-5-ol, 2-(tert-Butyl)pyrimidin-5-ol, 2-(1,1-dimethylethyl)-5-pyrimidinol, 2-tert-butyl-pyrimidin-5-ol, 5-Pyrimidinol, 2-(1,1-dimethylethyl)-
| Molecular Formula | C8H12N2O |
|---|---|
| Molecular Weight | 152.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 46.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.09496 |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 85929-96-0 |
|---|---|
| SMILES | CC(C)(C)C1=NC=C(C=N1)O |
| InChIKey | JARZKOYAUVCWCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Pyrimidinol, 2-(1,1-dimethylethyl)- (CAS 85929-96-0), with molecular formula C8H12N2O and molecular weight 152.09 g/mol. IUPAC: 2-tert-butylpyrimidin-5-ol.
Chemical Property Profile of 5-Pyrimidinol, 2-(1,1-dimethylethyl)-
Property Insights of 5-Pyrimidinol, 2-(1,1-dimethylethyl)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Pyrimidinol, 2-(1,1-dimethylethyl)-. With a topological polar surface area (TPSA) of 46.0 Ų, 5-Pyrimidinol, 2-(1,1-dimethylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Pyrimidinol, 2-(1,1-dimethylethyl)- has 1 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-Pyrimidinol, 2-(1,1-dimethylethyl)-?
The CAS number of 5-Pyrimidinol, 2-(1,1-dimethylethyl)- is 85929-96-0.
What is the molecular formula of 5-Pyrimidinol, 2-(1,1-dimethylethyl)-?
The molecular formula of 5-Pyrimidinol, 2-(1,1-dimethylethyl)- is C8H12N2O.
What is the molecular weight of 5-Pyrimidinol, 2-(1,1-dimethylethyl)-?
The molecular weight of 5-Pyrimidinol, 2-(1,1-dimethylethyl)- is 152.09 g/mol.
Where can I buy 5-Pyrimidinol, 2-(1,1-dimethylethyl)-?
You can request a quote for 5-Pyrimidinol, 2-(1,1-dimethylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Pyrimidinol, 2-(1,1-dimethylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 5-Pyrimidinol, 2-(1,1-dimethylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.