5-(1-aza-2-(4-(dimethylamino)phenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile
TL;DR: 5-(1-aza-2-(4-(dimethylamino)phenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile (CAS 1024597-44-1) is a chemical compound with molecular formula C20H18N6O and molecular weight 358.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-[[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1-phenylpyrimidine-4-carbonitrile
Also Known As: 5-(1-aza-2-(4-(dimethylamino)phenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile, 6-amino-5-[[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1-phenylpyrimidine-4-carbonitrile, 6-amino-5-[(4-dimethylaminophenyl)methylideneamino]-2-oxo-1-phenylpyrimidine-4-carbonitrile, 5-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]-6-imino-2-oxo-1-phenyl-1,2,3,6-tetrahydropyrimidine-4-carbonitrile, 6-amino-5-[(4-dimethylaminophenyl)methylideneamino]-2-oxo-1-phenyl-pyrimidine-4-carbonitrile
| Molecular Formula | C20H18N6O |
|---|---|
| Molecular Weight | 358.15 g/mol |
| LogP | 2.50298 |
| Topological Polar Surface Area | 100.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.1542 |
| Heavy Atoms | 27 |
| Complexity | 1076.4402 |
Chemical Identifiers
| CAS Number | 1024597-44-1 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=NC2=C(N(C(=O)N=C2C#N)C3=CC=CC=C3)N |
Product Overview
5-(1-aza-2-(4-(dimethylamino)phenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile (CAS 1024597-44-1), with molecular formula C20H18N6O and molecular weight 358.15 g/mol. IUPAC: 6-amino-5-[[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1-phenylpyrimidine-4-carbonitrile.
Chemical Property Profile of 5-(1-aza-2-(4-(dimethylamino)phenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile
Property Insights of 5-(1-aza-2-(4-(dimethylamino)phenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile
The XLogP value of 2.50298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1-aza-2-(4-(dimethylamino)phenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile. The TPSA of 100.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1-aza-2-(4-(dimethylamino)phenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile. Following Lipinski's Rule of Five, 5-(1-aza-2-(4-(dimethylamino)phenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile has 1 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 5-(1-aza-2-(4-(dimethylamino)phenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile?
The CAS number of 5-(1-aza-2-(4-(dimethylamino)phenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile is 1024597-44-1.
What is the molecular formula of 5-(1-aza-2-(4-(dimethylamino)phenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile?
The molecular formula of 5-(1-aza-2-(4-(dimethylamino)phenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile is C20H18N6O.
What is the molecular weight of 5-(1-aza-2-(4-(dimethylamino)phenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile?
The molecular weight of 5-(1-aza-2-(4-(dimethylamino)phenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile is 358.15 g/mol.
Where can I buy 5-(1-aza-2-(4-(dimethylamino)phenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile?
You can request a quote for 5-(1-aza-2-(4-(dimethylamino)phenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1-aza-2-(4-(dimethylamino)phenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(1-aza-2-(4-(dimethylamino)phenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.