2,4-Pyrimidinediamine, 5-((4-butoxy-3-methoxyphenyl)methyl)-
TL;DR: 2,4-Pyrimidinediamine, 5-((4-butoxy-3-methoxyphenyl)methyl)- (CAS 80267-19-2) is a chemical compound with molecular formula C16H22N4O2 and molecular weight 302.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-butoxy-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine
Also Known As: Benzylpyrimidine analog, 2,4-Pyrimidinediamine, 5-((4-butoxy-3-methoxyphenyl)methyl)-, 2,4-Diamino-5-(3-methoxy-4-n-butoxybenzyl)pyrimidine, 5-((4-Butoxy-3-methoxyphenyl)methyl)-2,4-pyrimidinediamine, 5-[(4-Butoxy-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine
| Molecular Formula | C16H22N4O2 |
|---|---|
| Molecular Weight | 302.17 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 302.1743 |
| Heavy Atoms | 22 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 80267-19-2 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OC |
| InChIKey | CBVOSPUWDDLWCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Pyrimidinediamine, 5-((4-butoxy-3-methoxyphenyl)methyl)- (CAS 80267-19-2), with molecular formula C16H22N4O2 and molecular weight 302.17 g/mol. IUPAC: 5-[(4-butoxy-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine.
Chemical Property Profile of 2,4-Pyrimidinediamine, 5-((4-butoxy-3-methoxyphenyl)methyl)-
Property Insights of 2,4-Pyrimidinediamine, 5-((4-butoxy-3-methoxyphenyl)methyl)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Pyrimidinediamine, 5-((4-butoxy-3-methoxyphenyl)methyl)-. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Pyrimidinediamine, 5-((4-butoxy-3-methoxyphenyl)methyl)-. Following Lipinski's Rule of Five, 2,4-Pyrimidinediamine, 5-((4-butoxy-3-methoxyphenyl)methyl)- has 2 hydrogen bond donor(s) and 6 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-Pyrimidinediamine, 5-((4-butoxy-3-methoxyphenyl)methyl)-?
The CAS number of 2,4-Pyrimidinediamine, 5-((4-butoxy-3-methoxyphenyl)methyl)- is 80267-19-2.
What is the molecular formula of 2,4-Pyrimidinediamine, 5-((4-butoxy-3-methoxyphenyl)methyl)-?
The molecular formula of 2,4-Pyrimidinediamine, 5-((4-butoxy-3-methoxyphenyl)methyl)- is C16H22N4O2.
What is the molecular weight of 2,4-Pyrimidinediamine, 5-((4-butoxy-3-methoxyphenyl)methyl)-?
The molecular weight of 2,4-Pyrimidinediamine, 5-((4-butoxy-3-methoxyphenyl)methyl)- is 302.17 g/mol.
Where can I buy 2,4-Pyrimidinediamine, 5-((4-butoxy-3-methoxyphenyl)methyl)-?
You can request a quote for 2,4-Pyrimidinediamine, 5-((4-butoxy-3-methoxyphenyl)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Pyrimidinediamine, 5-((4-butoxy-3-methoxyphenyl)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pyrimidinediamine, 5-((4-butoxy-3-methoxyphenyl)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.