![2-({[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)benzenecarbonitrile structure](/static/products/3383/338394-16-4.webp)
2-({[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)benzenecarbonitrile
TL;DR: 2-({[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)benzenecarbonitrile (CAS 338394-16-4) is a chemical compound with molecular formula C14H12N4O3 and molecular weight 284.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]benzonitrile
Also Known As: 2-({[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)benzenecarbonitrile, 2-{[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}benzonitrile, 2B-101, 2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]benzonitrile, 2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzonitrile
| Molecular Formula | C14H12N4O3 |
|---|---|
| Molecular Weight | 284.09 g/mol |
| LogP | 0.41188 |
| Topological Polar Surface Area | 100.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.09094 |
| Heavy Atoms | 21 |
| Complexity | 884.558 |
Chemical Identifiers
| CAS Number | 338394-16-4 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C=NC2=CC=CC=C2C#N)O |
Product Overview
2-({[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)benzenecarbonitrile (CAS 338394-16-4), with molecular formula C14H12N4O3 and molecular weight 284.09 g/mol. IUPAC: 2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]benzonitrile.
Chemical Property Profile of 2-({[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)benzenecarbonitrile
Property Insights of 2-({[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)benzenecarbonitrile
The XLogP value of 0.41188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)benzenecarbonitrile. The TPSA of 100.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)benzenecarbonitrile. Following Lipinski's Rule of Five, 2-({[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)benzenecarbonitrile has 1 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-({[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)benzenecarbonitrile?
The CAS number of 2-({[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)benzenecarbonitrile is 338394-16-4.
What is the molecular formula of 2-({[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)benzenecarbonitrile?
The molecular formula of 2-({[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)benzenecarbonitrile is C14H12N4O3.
What is the molecular weight of 2-({[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)benzenecarbonitrile?
The molecular weight of 2-({[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)benzenecarbonitrile is 284.09 g/mol.
Where can I buy 2-({[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)benzenecarbonitrile?
You can request a quote for 2-({[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-({[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}amino)benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.