![3-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile structure](/static/products/2528/25288-14-6.webp)
3-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile
TL;DR: 3-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile (CAS 25288-14-6) is a chemical compound with molecular formula C18H13Cl2N5O and molecular weight 385.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile
Also Known As: 3-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile, 3-((2,4-dichlorophenyl)pyrimidin-4 -l)methoxy)benzonitrile, 3-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy, 3-{[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy}benzonitrile
| Molecular Formula | C18H13Cl2N5O |
|---|---|
| Molecular Weight | 385.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.0497 |
| Heavy Atoms | 26 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 25288-14-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OCC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl)C#N |
| InChIKey | JTFFQGZOZGTMJE-UHFFFAOYSA-N |
Product Overview
3-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile (CAS 25288-14-6), with molecular formula C18H13Cl2N5O and molecular weight 385.05 g/mol. IUPAC: 3-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile.
Chemical Property Profile of 3-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile
Property Insights of 3-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile
The XLogP value of 3.6 indicates that 3-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile. Following Lipinski's Rule of Five, 3-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile 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 3-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile?
The CAS number of 3-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile is 25288-14-6.
What is the molecular formula of 3-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile?
The molecular formula of 3-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile is C18H13Cl2N5O.
What is the molecular weight of 3-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile?
The molecular weight of 3-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile is 385.05 g/mol.
Where can I buy 3-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile?
You can request a quote for 3-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.