2,4-Diamino-5-(3,4-dibenzyloxy-5-methoxybenzyl)pyrimidine
TL;DR: 2,4-Diamino-5-(3,4-dibenzyloxy-5-methoxybenzyl)pyrimidine (CAS 83158-01-4) is a chemical compound with molecular formula C26H26N4O3 and molecular weight 442.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-methoxy-4,5-bis(phenylmethoxy)phenyl]methyl]pyrimidine-2,4-diamine
Also Known As: Pyrimidine analog, J1.588.171B, 24NH2-PYRIMIDIN,5(3MEO-45PHCO)BENZYL, 2,4-Diamino-5-(3,4-dibenzyloxy-5-methoxybenzyl)pyrimidine, 5-[3,4-bis(benzyloxy)-5-methoxybenzyl]pyrimidine-2,4-diamine
| Molecular Formula | C26H26N4O3 |
|---|---|
| Molecular Weight | 442.20 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 442.2005 |
| Heavy Atoms | 33 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 83158-01-4 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OCC3=CC=CC=C3)OCC4=CC=CC=C4 |
| InChIKey | WANWQMQTCIPXII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Diamino-5-(3,4-dibenzyloxy-5-methoxybenzyl)pyrimidine (CAS 83158-01-4), with molecular formula C26H26N4O3 and molecular weight 442.20 g/mol. IUPAC: 5-[[3-methoxy-4,5-bis(phenylmethoxy)phenyl]methyl]pyrimidine-2,4-diamine.
Chemical Property Profile of 2,4-Diamino-5-(3,4-dibenzyloxy-5-methoxybenzyl)pyrimidine
Property Insights of 2,4-Diamino-5-(3,4-dibenzyloxy-5-methoxybenzyl)pyrimidine
The XLogP value of 4.1 indicates that 2,4-Diamino-5-(3,4-dibenzyloxy-5-methoxybenzyl)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Diamino-5-(3,4-dibenzyloxy-5-methoxybenzyl)pyrimidine. Following Lipinski's Rule of Five, 2,4-Diamino-5-(3,4-dibenzyloxy-5-methoxybenzyl)pyrimidine has 2 hydrogen bond donor(s) and 7 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 2,4-Diamino-5-(3,4-dibenzyloxy-5-methoxybenzyl)pyrimidine?
The CAS number of 2,4-Diamino-5-(3,4-dibenzyloxy-5-methoxybenzyl)pyrimidine is 83158-01-4.
What is the molecular formula of 2,4-Diamino-5-(3,4-dibenzyloxy-5-methoxybenzyl)pyrimidine?
The molecular formula of 2,4-Diamino-5-(3,4-dibenzyloxy-5-methoxybenzyl)pyrimidine is C26H26N4O3.
What is the molecular weight of 2,4-Diamino-5-(3,4-dibenzyloxy-5-methoxybenzyl)pyrimidine?
The molecular weight of 2,4-Diamino-5-(3,4-dibenzyloxy-5-methoxybenzyl)pyrimidine is 442.20 g/mol.
Where can I buy 2,4-Diamino-5-(3,4-dibenzyloxy-5-methoxybenzyl)pyrimidine?
You can request a quote for 2,4-Diamino-5-(3,4-dibenzyloxy-5-methoxybenzyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Diamino-5-(3,4-dibenzyloxy-5-methoxybenzyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Diamino-5-(3,4-dibenzyloxy-5-methoxybenzyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.