Cas no 54058-30-9 (2,4(1H,3H)-Pyrimidinedione,6-amino-5-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-1,3-dimethyl-)
54058-30-9 structure
Product Name:2,4(1H,3H)-Pyrimidinedione,6-amino-5-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-1,3-dimethyl-
CAS No:54058-30-9
MF:C14H14N6O4
MW:330.298761844635
CID:381509
PubChem ID:325688
Update Time:2025-04-19
2,4(1H,3H)-Pyrimidinedione,6-amino-5-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-1,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4(1H,3H)-Pyrimidinedione,6-amino-5-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-1,3-dimethyl-
- 6-amino-5-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-1,3-dimethylpyrimidine-2,4-dione
- 6-amino-5-(3,5-dioxo-4-phenyl-[1,2,4]triazolidin-1-yl)-1,3-dimethyl-1H-pyrimidine-2,4-dione
- AC1L6WSJ
- NSC294809
- DTXSID40315483
- NSC-294809
- 54058-30-9
-
- Inchi： 1S/C14H14N6O4/c1-17-10(15)9(11(21)18(2)13(17)23)20-14(24)19(12(22)16-20)8-6-4-3-5-7-8/h3-7H,15H2,1-2H3,(H,16,22)
- InChI Key： AJSOLFTVCMVGDZ-UHFFFAOYSA-N
- SMILES： O=C1N(C2C=CC=CC=2)C(NN1C1C(N(C)C(N(C)C=1N)=O)=O)=O
Computed Properties
- Exact Mass: 330.10782
- Monoisotopic Mass: 330.10765295g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 654
- 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: -0.4
- Topological Polar Surface Area: 119?2
Experimental Properties
- PSA: 119.29
- LogP: -1.12270
2,4(1H,3H)-Pyrimidinedione,6-amino-5-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-1,3-dimethyl- Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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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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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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