2-Benzyl-1,4,5,6-tetrahydropyrimidine
TL;DR: 2-Benzyl-1,4,5,6-tetrahydropyrimidine (CAS 25099-79-0) is a chemical compound with molecular formula C11H14N2 and molecular weight 174.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-1,4,5,6-tetrahydropyrimidine
Also Known As: 2-benzyl-1,4,5,6-tetrahydropyrimidine, pyrimidine, 2-benzyl-1,4,5,6-tetrahydro-, J2.329.722A
| Molecular Formula | C11H14N2 |
|---|---|
| Molecular Weight | 174.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.11569 |
| Heavy Atoms | 13 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 25099-79-0 |
|---|---|
| SMILES | C1CNC(=NC1)CC2=CC=CC=C2 |
| InChIKey | UHCJTZMKIOZTEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzyl-1,4,5,6-tetrahydropyrimidine (CAS 25099-79-0), with molecular formula C11H14N2 and molecular weight 174.12 g/mol. IUPAC: 2-benzyl-1,4,5,6-tetrahydropyrimidine.
Chemical Property Profile of 2-Benzyl-1,4,5,6-tetrahydropyrimidine
Property Insights of 2-Benzyl-1,4,5,6-tetrahydropyrimidine
The XLogP value of 3.0 indicates that 2-Benzyl-1,4,5,6-tetrahydropyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.4 Ų, 2-Benzyl-1,4,5,6-tetrahydropyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-1,4,5,6-tetrahydropyrimidine has 1 hydrogen bond donor(s) and 1 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 2-Benzyl-1,4,5,6-tetrahydropyrimidine?
The CAS number of 2-Benzyl-1,4,5,6-tetrahydropyrimidine is 25099-79-0.
What is the molecular formula of 2-Benzyl-1,4,5,6-tetrahydropyrimidine?
The molecular formula of 2-Benzyl-1,4,5,6-tetrahydropyrimidine is C11H14N2.
What is the molecular weight of 2-Benzyl-1,4,5,6-tetrahydropyrimidine?
The molecular weight of 2-Benzyl-1,4,5,6-tetrahydropyrimidine is 174.12 g/mol.
Where can I buy 2-Benzyl-1,4,5,6-tetrahydropyrimidine?
You can request a quote for 2-Benzyl-1,4,5,6-tetrahydropyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-1,4,5,6-tetrahydropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-1,4,5,6-tetrahydropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.