![5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine structure](/static/products/4987/49873-11-2.webp)
5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine
TL;DR: 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine (CAS 49873-11-2) is a chemical compound with molecular formula C18H18N4O and molecular weight 306.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
Also Known As: 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine, Benzylpyrimidine, 5-[ benzyl]-2,4-diaminopyrimidine, 5-[(4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine, 5-(4-(benzyloxy)benzyl)pyrimidine-2,4-diamine
| Molecular Formula | C18H18N4O |
|---|---|
| Molecular Weight | 306.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.14807 |
| Heavy Atoms | 23 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 49873-11-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)CC3=CN=C(N=C3N)N |
| InChIKey | NTVMHTFWSNGDLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine (CAS 49873-11-2), with molecular formula C18H18N4O and molecular weight 306.15 g/mol. IUPAC: 5-[(4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine.
Chemical Property Profile of 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine
Property Insights of 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine
The XLogP value of 3.0 indicates that 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine. Following Lipinski's Rule of Five, 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine has 2 hydrogen bond donor(s) and 5 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-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine?
The CAS number of 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine is 49873-11-2.
What is the molecular formula of 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine?
The molecular formula of 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine is C18H18N4O.
What is the molecular weight of 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine?
The molecular weight of 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine is 306.15 g/mol.
Where can I buy 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine?
You can request a quote for 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.