Cas no 50256-18-3 (1-methyl-2,4(1H,3H)-Pteridinedione)
50256-18-3 structure
Product Name:1-methyl-2,4(1H,3H)-Pteridinedione
CAS No:50256-18-3
MF:C7H6N4O2
MW:178.14814043045
CID:933432
PubChem ID:556817
Update Time:2025-04-19
1-methyl-2,4(1H,3H)-Pteridinedione Chemical and Physical Properties
Names and Identifiers
-
- 1-methyl-2,4(1H,3H)-Pteridinedione
- 2,4(1H,3H)-Pteridinedione, 1-methyl-
- 1-Methyllumazine
- 1-Methyl-2,4(1H,3H)-pteridinedione #
- AKOS006278269
- 1-methyl lumazine
- 1-Methyllumazin
- CHEMBL171674
- AB-323/13887201
- UYKSIAWLPKJVJX-UHFFFAOYSA-N
- 1-methylpteridine-2,4-dione
- SCHEMBL6885588
- 50256-18-3
- 1-methylpteridine-2,4(1H,3H)-dione
- DB-269307
-
- Inchi： 1S/C7H6N4O2/c1-11-5-4(8-2-3-9-5)6(12)10-7(11)13/h2-3H,1H3,(H,10,12,13)
- InChI Key： UYKSIAWLPKJVJX-UHFFFAOYSA-N
- SMILES： O=C1NC(C2C(=NC=CN=2)N1C)=O
Computed Properties
- Exact Mass: 178.04907545g/mol
- Monoisotopic Mass: 178.04907545g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 255
- 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: 75.2?2
1-methyl-2,4(1H,3H)-Pteridinedione Related Literature
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Tong Xu,Dongwei Ma,Chengbo Li,Qian Liu,Siyu Lu,Abdullah M. Asiri,Chun Yang,Xuping Sun Chem. Commun., 2020,56, 3673-3676
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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