4-Benzylpyrimidine
TL;DR: 4-Benzylpyrimidine (CAS 64660-82-8) is a chemical compound with molecular formula C11H10N2 and molecular weight 170.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylpyrimidine
Also Known As: 4-Benzylpyrimidine, 6-benzylpyrimidine, Pyrimidine,4- -, Pyrimidine, 4-(phenylmethyl)-, Pyrimidine,4-(phenylmethyl)
| Molecular Formula | C11H10N2 |
|---|---|
| Molecular Weight | 170.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 25.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.0844 |
| Heavy Atoms | 13 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 64660-82-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NC=NC=C2 |
| InChIKey | BXACYQRHBZMYQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Benzylpyrimidine (CAS 64660-82-8), with molecular formula C11H10N2 and molecular weight 170.08 g/mol. IUPAC: 4-benzylpyrimidine.
Chemical Property Profile of 4-Benzylpyrimidine
Property Insights of 4-Benzylpyrimidine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzylpyrimidine. With a topological polar surface area (TPSA) of 25.8 Ų, 4-Benzylpyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzylpyrimidine 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-Benzylpyrimidine?
The CAS number of 4-Benzylpyrimidine is 64660-82-8.
What is the molecular formula of 4-Benzylpyrimidine?
The molecular formula of 4-Benzylpyrimidine is C11H10N2.
What is the molecular weight of 4-Benzylpyrimidine?
The molecular weight of 4-Benzylpyrimidine is 170.08 g/mol.
Where can I buy 4-Benzylpyrimidine?
You can request a quote for 4-Benzylpyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzylpyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.