4-Isobutylpyrimidine
TL;DR: 4-Isobutylpyrimidine (CAS 98489-37-3) is a chemical compound with molecular formula C8H12N2 and molecular weight 136.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylpropyl)pyrimidine
Also Known As: 4-Isobutylpyrimidine, 4-(2-methylpropyl)pyrimidine, Pyrimidine, 4-isobutyl- (6CI), Pyrimidine, 4-(2-methylpropyl)-
| Molecular Formula | C8H12N2 |
|---|---|
| Molecular Weight | 136.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 25.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 136.10005 |
| Heavy Atoms | 10 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 98489-37-3 |
|---|---|
| SMILES | CC(C)CC1=NC=NC=C1 |
| InChIKey | FJQBYVHWRHVOLQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Isobutylpyrimidine (CAS 98489-37-3), with molecular formula C8H12N2 and molecular weight 136.10 g/mol. IUPAC: 4-(2-methylpropyl)pyrimidine.
Chemical Property Profile of 4-Isobutylpyrimidine
Property Insights of 4-Isobutylpyrimidine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isobutylpyrimidine. With a topological polar surface area (TPSA) of 25.8 Ų, 4-Isobutylpyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isobutylpyrimidine has 0 hydrogen bond donor(s) and 2 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 4-Isobutylpyrimidine?
The CAS number of 4-Isobutylpyrimidine is 98489-37-3.
What is the molecular formula of 4-Isobutylpyrimidine?
The molecular formula of 4-Isobutylpyrimidine is C8H12N2.
What is the molecular weight of 4-Isobutylpyrimidine?
The molecular weight of 4-Isobutylpyrimidine is 136.10 g/mol.
Where can I buy 4-Isobutylpyrimidine?
You can request a quote for 4-Isobutylpyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isobutylpyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Isobutylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.