Cas no 50256-19-4 (2,4(1H,3H)-Pteridinedione, 3-methyl-)
50256-19-4 structure
Product Name:2,4(1H,3H)-Pteridinedione, 3-methyl-
CAS No:50256-19-4
MF:C7H6N4O2
MW:178.14814043045
CID:365477
PubChem ID:379345
Update Time:2025-04-19
2,4(1H,3H)-Pteridinedione, 3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4(1H,3H)-Pteridinedione, 3-methyl-
- 3-methyl-1H-pteridine-2,4-dione
- NCI60_021925
- DTXSID60327523
- 3-methyllumazin
- CHEMBL1984457
- AB-323/13887225
- NSC663892
- 3-Methyl-2,4(1H,3H)-pteridinedione
- SCHEMBL5468206
- NSC-663892
- 50256-19-4
-
- Inchi： 1S/C7H6N4O2/c1-11-6(12)4-5(10-7(11)13)9-3-2-8-4/h2-3H,1H3,(H,9,10,13)
- InChI Key： UYXLCEIIVQGXBU-UHFFFAOYSA-N
- SMILES： O=C1C2C(=NC=CN=2)NC(N1C)=O
Computed Properties
- Exact Mass: 178.04918
- 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: -0.8
- Topological Polar Surface Area: 75.2?2
Experimental Properties
- PSA: 75.19
2,4(1H,3H)-Pteridinedione, 3-methyl- Related Literature
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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