![1-(4-chlorophenyl)-5-[(E)-[(4-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1,2,3,6-tetrahydropyrimidine-4-carbonitrile structure](/static/products/1048/1048915-26-9.webp)
1-(4-chlorophenyl)-5-[(E)-[(4-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1,2,3,6-tetrahydropyrimidine-4-carbonitrile
TL;DR: 1-(4-chlorophenyl)-5-[(E)-[(4-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1,2,3,6-tetrahydropyrimidine-4-carbonitrile (CAS 1048915-26-9) is a chemical compound with molecular formula C18H11ClFN5O and molecular weight 367.06363 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-amino-1-(4-chlorophenyl)-5-[(4-fluorophenyl)methylideneamino]-2-oxopyrimidine-4-carbonitrile
Also Known As: 1-(4-chlorophenyl)-5-[(E)-[(4-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1,2,3,6-tetrahydropyrimidine-4-carbonitrile, 1-(4-chlorophenyl)-5-{[(E)-(4-fluorophenyl)methylidene]amino}-6-imino-2-oxo-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile, 6-amino-1-(4-chlorophenyl)-5-[(4-fluorophenyl)methylideneamino]-2-oxopyrimidine-4-carbonitrile, 1-(4-Chlorophenyl)-5-{(E)-(4-fluorophenyl)methylideneamino}-6-imino-2-oxo-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile, 6-amino-1-(4-chlorophenyl)-5-[(4-fluorophenyl)methylideneamino]-2-oxo-pyrimidine-4-carbonitrile
Technical Specifications
| Molecular Formula | C18H11ClFN5O |
| Molecular Weight | 367.06363 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 94.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.06363 Da |
| Heavy Atoms | 26 |
| Complexity | 694.0 |
| SMILES | C1=CC(=CC=C1C=NC2=C(N(C(=O)N=C2C#N)C3=CC=C(C=C3)Cl)N)F |
| InChIKey | RMYJTLAGPXPDJA-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-chlorophenyl)-5-[(E)-[(4-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1,2,3,6-tetrahydropyrimidine-4-carbonitrile
Property Insights of 1-(4-chlorophenyl)-5-[(E)-[(4-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1,2,3,6-tetrahydropyrimidine-4-carbonitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-chlorophenyl)-5-[(E)-[(4-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1,2,3,6-tetrahydropyrimidine-4-carbonitrile. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-5-[(E)-[(4-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1,2,3,6-tetrahydropyrimidine-4-carbonitrile. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-5-[(E)-[(4-fluorophenyl)methylidene]amino]-6-imino-2-oxo-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 1-(4-chlorophenyl)-5-[(E)-[(4-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1,2,3,6-tetrahydropyrimidine-4-carbonitrile?
The CAS number of 1-(4-chlorophenyl)-5-[(E)-[(4-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1,2,3,6-tetrahydropyrimidine-4-carbonitrile is 1048915-26-9.
What is the molecular formula of 1-(4-chlorophenyl)-5-[(E)-[(4-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1,2,3,6-tetrahydropyrimidine-4-carbonitrile?
The molecular formula of 1-(4-chlorophenyl)-5-[(E)-[(4-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1,2,3,6-tetrahydropyrimidine-4-carbonitrile is C18H11ClFN5O.
What is the molecular weight of 1-(4-chlorophenyl)-5-[(E)-[(4-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1,2,3,6-tetrahydropyrimidine-4-carbonitrile?
The molecular weight of 1-(4-chlorophenyl)-5-[(E)-[(4-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1,2,3,6-tetrahydropyrimidine-4-carbonitrile is 367.06363 g/mol.
Where can I buy 1-(4-chlorophenyl)-5-[(E)-[(4-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1,2,3,6-tetrahydropyrimidine-4-carbonitrile?
You can request a quote for 1-(4-chlorophenyl)-5-[(E)-[(4-fluorophenyl)methylidene]amino]-6-imino-2-oxo-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 1-(4-chlorophenyl)-5-[(E)-[(4-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1,2,3,6-tetrahydropyrimidine-4-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 1-(4-chlorophenyl)-5-[(E)-[(4-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1,2,3,6-tetrahydropyrimidine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.