Cas no 61289-10-9 (2,4(1H,3H)-Pyrimidinedione, 1,3-dibenzoyl-5-fluoro-)
61289-10-9 structure
Product Name:2,4(1H,3H)-Pyrimidinedione, 1,3-dibenzoyl-5-fluoro-
CAS No:61289-10-9
MF:C18H11FN2O4
MW:338.289347887039
CID:485737
PubChem ID:12690829
Update Time:2025-04-19
2,4(1H,3H)-Pyrimidinedione, 1,3-dibenzoyl-5-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- 2,4(1H,3H)-Pyrimidinedione, 1,3-dibenzoyl-5-fluoro-
- 1,3-dibenzoyl-5-fluoropyrimidine-2,4-dione
- 61289-10-9
- SOLWGCGTQNTUDI-UHFFFAOYSA-N
- DTXSID00507024
- 1,3-di-N-benzoyl-5-fluorouracil
- SCHEMBL11631449
- 1,3-Dibenzoyl-5-fluoropyrimidine-2,4(1H,3H)-dione
-
- Inchi： 1S/C18H11FN2O4/c19-14-11-20(15(22)12-7-3-1-4-8-12)18(25)21(17(14)24)16(23)13-9-5-2-6-10-13/h1-11H
- InChI Key： SOLWGCGTQNTUDI-UHFFFAOYSA-N
- SMILES： FC1=CN(C(C2C=CC=CC=2)=O)C(N(C1=O)C(C1C=CC=CC=1)=O)=O
Computed Properties
- Exact Mass: 338.07033
- Monoisotopic Mass: 338.07028500g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 2
- Complexity: 619
- 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: 2.6
- Topological Polar Surface Area: 74.8?2
Experimental Properties
- PSA: 74.76
2,4(1H,3H)-Pyrimidinedione, 1,3-dibenzoyl-5-fluoro- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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