2-(pyriMidin-2-yl)Malononitrile
TL;DR: 2-(pyriMidin-2-yl)Malononitrile (CAS 1099471-49-4) is a chemical compound with molecular formula C7H4N4 and molecular weight 144.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyrimidin-2-ylpropanedinitrile
Also Known As: 2-(pyriMidin-2-yl)Malononitrile, 2-Dicyanomethylpyrimidine, 2-(pyrimidin-2-yl)propanedinitrile, 2-pyrimidin-2-ylpropanedinitrile, 2-(Dicyanomethyl)pyrimidine
| Molecular Formula | C7H4N4 |
|---|---|
| Molecular Weight | 144.04 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 73.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.0436 |
| Heavy Atoms | 11 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 1099471-49-4 |
|---|---|
| SMILES | C1=CN=C(N=C1)C(C#N)C#N |
| InChIKey | KDBXVFFEGGNWJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(pyriMidin-2-yl)Malononitrile (CAS 1099471-49-4), with molecular formula C7H4N4 and molecular weight 144.04 g/mol. IUPAC: 2-pyrimidin-2-ylpropanedinitrile.
Chemical Property Profile of 2-(pyriMidin-2-yl)Malononitrile
Property Insights of 2-(pyriMidin-2-yl)Malononitrile
The XLogP value of -0.1 indicates that 2-(pyriMidin-2-yl)Malononitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(pyriMidin-2-yl)Malononitrile. Following Lipinski's Rule of Five, 2-(pyriMidin-2-yl)Malononitrile has 0 hydrogen bond donor(s) and 4 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-(pyriMidin-2-yl)Malononitrile?
The CAS number of 2-(pyriMidin-2-yl)Malononitrile is 1099471-49-4.
What is the molecular formula of 2-(pyriMidin-2-yl)Malononitrile?
The molecular formula of 2-(pyriMidin-2-yl)Malononitrile is C7H4N4.
What is the molecular weight of 2-(pyriMidin-2-yl)Malononitrile?
The molecular weight of 2-(pyriMidin-2-yl)Malononitrile is 144.04 g/mol.
Where can I buy 2-(pyriMidin-2-yl)Malononitrile?
You can request a quote for 2-(pyriMidin-2-yl)Malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(pyriMidin-2-yl)Malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(pyriMidin-2-yl)Malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.