![6-imino-2-oxo-1-phenyl-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile structure](/static/products/1048/1048915-49-6.webp)
6-imino-2-oxo-1-phenyl-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile
TL;DR: 6-imino-2-oxo-1-phenyl-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile (CAS 1048915-49-6) is a chemical compound with molecular formula C16H11N5OS and molecular weight 321.06842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-amino-2-oxo-1-phenyl-5-(thiophen-3-ylmethylideneamino)pyrimidine-4-carbonitrile
Also Known As: 6-imino-2-oxo-1-phenyl-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile, 6-amino-2-oxo-1-phenyl-5-(thiophen-3-ylmethylideneamino)pyrimidine-4-carbonitrile, 6-imino-2-oxo-1-phenyl-5-{[(E)-3-thienylmethylidene]amino}-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile, 6-amino-2-oxo-1-phenyl-5-[(thiophen-3-ylmethylidene)amino]pyrimidine-4-carbonitrile, 6-Imino-2-oxo-1-phenyl-5-{(E)-3-thienylmethylideneamino}-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile
Technical Specifications
| Molecular Formula | C16H11N5OS |
| Molecular Weight | 321.06842 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.06842 Da |
| Heavy Atoms | 23 |
| Complexity | 624.0 |
| SMILES | C1=CC=C(C=C1)N2C(=C(C(=NC2=O)C#N)N=CC3=CSC=C3)N |
| InChIKey | KYJYBCNJYGIJAQ-UHFFFAOYSA-N |
Chemical Property Profile of 6-imino-2-oxo-1-phenyl-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile
Property Insights of 6-imino-2-oxo-1-phenyl-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-imino-2-oxo-1-phenyl-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-imino-2-oxo-1-phenyl-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile. Following Lipinski's Rule of Five, 6-imino-2-oxo-1-phenyl-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile 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
What is the CAS number of 6-imino-2-oxo-1-phenyl-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile?
The CAS number of 6-imino-2-oxo-1-phenyl-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile is 1048915-49-6.
What is the molecular formula of 6-imino-2-oxo-1-phenyl-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile?
The molecular formula of 6-imino-2-oxo-1-phenyl-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile is C16H11N5OS.
What is the molecular weight of 6-imino-2-oxo-1-phenyl-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile?
The molecular weight of 6-imino-2-oxo-1-phenyl-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile is 321.06842 g/mol.
Where can I buy 6-imino-2-oxo-1-phenyl-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile?
You can request a quote for 6-imino-2-oxo-1-phenyl-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-imino-2-oxo-1-phenyl-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 6-imino-2-oxo-1-phenyl-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.