Cas no 90330-19-1 (2,4(1H,3H)-Pyrimidinedione, 1-benzoyl-5-methyl-)
90330-19-1 structure
Product Name:2,4(1H,3H)-Pyrimidinedione, 1-benzoyl-5-methyl-
CAS No:90330-19-1
MF:C12H10N2O3
MW:230.21940279007
CID:789282
PubChem ID:667610
Update Time:2025-04-19
2,4(1H,3H)-Pyrimidinedione, 1-benzoyl-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4(1H,3H)-Pyrimidinedione, 1-benzoyl-5-methyl-
- 1-benzoyl-5-methylpyrimidine-2,4-dione
- AKOS000588898
- 90330-19-1
- DTXSID20349862
- Oprea1_543536
- HMS1678M04
- SR-01000315261-1
- QIUQZAQSDRSKSZ-UHFFFAOYSA-N
- benzoylthymine
- n-benzoylthymine
- Oprea1_664558
- SR-01000315261
- SCHEMBL1418006
-
- Inchi： 1S/C12H10N2O3/c1-8-7-14(12(17)13-10(8)15)11(16)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,15,17)
- InChI Key： QIUQZAQSDRSKSZ-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)N1C(NC(C(C)=C1)=O)=O
Computed Properties
- Exact Mass: 230.06914219g/mol
- Monoisotopic Mass: 230.06914219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 395
- 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: 1
- Topological Polar Surface Area: 66.5?2
2,4(1H,3H)-Pyrimidinedione, 1-benzoyl-5-methyl- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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