Cas no 52602-64-9 (Pyrimidine, 4-methyl-2,5,6-triphenyl-)
52602-64-9 structure
Product Name:Pyrimidine, 4-methyl-2,5,6-triphenyl-
CAS No:52602-64-9
MF:C23H18N2
MW:322.402425289154
CID:359266
PubChem ID:13046110
Update Time:2025-04-19
Pyrimidine, 4-methyl-2,5,6-triphenyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4-methyl-2,5,6-triphenyl-
- 4-methyl-2,5,6-triphenylpyrimidine
- DTXSID10516248
- SCHEMBL10205901
- 52602-64-9
-
- Inchi： 1S/C23H18N2/c1-17-21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)25-23(24-17)20-15-9-4-10-16-20/h2-16H,1H3
- InChI Key： VYBKMFDYJVQGGG-UHFFFAOYSA-N
- SMILES： N1C(C2C=CC=CC=2)=NC(C)=C(C2C=CC=CC=2)C=1C1C=CC=CC=1
Computed Properties
- Exact Mass: 322.14714
- Monoisotopic Mass: 322.146998583g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 25
- Rotatable Bond Count: 3
- Complexity: 391
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.6
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- PSA: 25.78
Pyrimidine, 4-methyl-2,5,6-triphenyl- Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
52602-64-9 (Pyrimidine, 4-methyl-2,5,6-triphenyl-) Related Products
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