TL;DR: 6-amino-2-oxo-1-phenyl-5-[[3-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4-carbonitrile (CAS 1274948-19-4) is a chemical compound with molecular formula C19H12F3N5O and molecular weight 383.0994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-amino-2-oxo-1-phenyl-5-[[3-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4-carbonitrile
Also Known As: 6-amino-2-oxo-1-phenyl-5-[[3-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4-carbonitrile, 5-(1-aza-2-(3-(trifluoromethyl)phenyl)vinyl)-4-imino-2-oxo-3-phenyl-1H-1,3-diazine-6-carbonitrile, 6-amino-2-oxo-1-phenyl-5-({[3-(trifluoromethyl)phenyl]methylidene}amino)pyrimidine-4-carbonitrile, 6-amino-2-oxo-1-phenyl-5-[[3-(trifluoromethyl)phenyl]methyleneamino]pyrimidine-4-carbonitrile, 6-imino-2-oxo-1-phenyl-5-[(E)-{[3-(trifluoromethyl)phenyl]methylidene}amino]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile
| Molecular Formula | C19H12F3N5O |
| Molecular Weight | 383.0994 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 94.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.0994 Da |
| Heavy Atoms | 28 |
| Complexity | 755.0 |
| SMILES | C1=CC=C(C=C1)N2C(=C(C(=NC2=O)C#N)N=CC3=CC(=CC=C3)C(F)(F)F)N |
| InChIKey | BNXZQECRMORUAE-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 6-amino-2-oxo-1-phenyl-5-[[3-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-2-oxo-1-phenyl-5-[[3-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4-carbonitrile. Following Lipinski's Rule of Five, 6-amino-2-oxo-1-phenyl-5-[[3-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4-carbonitrile has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-amino-2-oxo-1-phenyl-5-[[3-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4-carbonitrile is 1274948-19-4.
The molecular formula of 6-amino-2-oxo-1-phenyl-5-[[3-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4-carbonitrile is C19H12F3N5O.
The molecular weight of 6-amino-2-oxo-1-phenyl-5-[[3-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4-carbonitrile is 383.0994 g/mol.
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