(2,6-Diamino-5-(4-chloro-phenyl)-pyrimidin-4-yl)-acetonitrile
TL;DR: (2,6-Diamino-5-(4-chloro-phenyl)-pyrimidin-4-yl)-acetonitrile (CAS 20535-63-1) is a chemical compound with molecular formula C12H10ClN5 and molecular weight 259.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]acetonitrile
Also Known As: (2,6-Diamino-5-(4-chloro-phenyl)-pyrimidin-4-yl)-acetonitrile, 2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]acetonitrile, 4-Pyrimidineacetonitrile, 2,6-diamino-5-(4-chlorophenyl)-, 2,6-Diamino-5-(4-chlorophenyl)-4-pyrimidineacetonitrile, 2,6-Diamino-5-(4-chlorophenyl)pyrimidine-4-acetonitrile
| Molecular Formula | C12H10ClN5 |
|---|---|
| Molecular Weight | 259.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.06247 |
| Heavy Atoms | 18 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 20535-63-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(N=C(N=C2N)N)CC#N)Cl |
| InChIKey | FWGCWRTVBYBLHJ-UHFFFAOYSA-N |
Product Overview
(2,6-Diamino-5-(4-chloro-phenyl)-pyrimidin-4-yl)-acetonitrile (CAS 20535-63-1), with molecular formula C12H10ClN5 and molecular weight 259.06 g/mol. IUPAC: 2-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]acetonitrile.
Chemical Property Profile of (2,6-Diamino-5-(4-chloro-phenyl)-pyrimidin-4-yl)-acetonitrile
Property Insights of (2,6-Diamino-5-(4-chloro-phenyl)-pyrimidin-4-yl)-acetonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,6-Diamino-5-(4-chloro-phenyl)-pyrimidin-4-yl)-acetonitrile. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,6-Diamino-5-(4-chloro-phenyl)-pyrimidin-4-yl)-acetonitrile. Following Lipinski's Rule of Five, (2,6-Diamino-5-(4-chloro-phenyl)-pyrimidin-4-yl)-acetonitrile 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 (2,6-Diamino-5-(4-chloro-phenyl)-pyrimidin-4-yl)-acetonitrile?
The CAS number of (2,6-Diamino-5-(4-chloro-phenyl)-pyrimidin-4-yl)-acetonitrile is 20535-63-1.
What is the molecular formula of (2,6-Diamino-5-(4-chloro-phenyl)-pyrimidin-4-yl)-acetonitrile?
The molecular formula of (2,6-Diamino-5-(4-chloro-phenyl)-pyrimidin-4-yl)-acetonitrile is C12H10ClN5.
What is the molecular weight of (2,6-Diamino-5-(4-chloro-phenyl)-pyrimidin-4-yl)-acetonitrile?
The molecular weight of (2,6-Diamino-5-(4-chloro-phenyl)-pyrimidin-4-yl)-acetonitrile is 259.06 g/mol.
Where can I buy (2,6-Diamino-5-(4-chloro-phenyl)-pyrimidin-4-yl)-acetonitrile?
You can request a quote for (2,6-Diamino-5-(4-chloro-phenyl)-pyrimidin-4-yl)-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,6-Diamino-5-(4-chloro-phenyl)-pyrimidin-4-yl)-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (2,6-Diamino-5-(4-chloro-phenyl)-pyrimidin-4-yl)-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.