Cas no 113613-70-0 (2,4(3H,5H)-Pyrimidinedione,5-amino-6-hydrazinyl-3-methyl-)
113613-70-0 structure
Product Name:2,4(3H,5H)-Pyrimidinedione,5-amino-6-hydrazinyl-3-methyl-
CAS No:113613-70-0
MF:C5H9N5O2
MW:171.157259702682
CID:130219
PubChem ID:137245269
Update Time:2025-04-19
2,4(3H,5H)-Pyrimidinedione,5-amino-6-hydrazinyl-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4(3H,5H)-Pyrimidinedione,5-amino-6-hydrazinyl-3-methyl-
- 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-amino-1-methyl-,4-hydrazone(9CI)
- 113613-70-0
- 5-Amino-6-hydrazinyl-3-methylpyrimidine-2,4(3H,5H)-dione
- (6Z)-5-amino-6-hydrazinylidene-3-methyl-1,3-diazinane-2,4-dione
-
- Inchi： 1S/C5H9N5O2/c1-10-4(11)2(6)3(9-7)8-5(10)12/h2H,6-7H2,1H3,(H,8,9,12)
- InChI Key： YTHMJAYDQBKNOJ-UHFFFAOYSA-N
- SMILES： O=C1C(/C(=N/N)/NC(N1C)=O)N
Computed Properties
- Exact Mass: 171.07600
- Monoisotopic Mass: 171.076
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 261
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 114A^2
- XLogP3: -1.3
Experimental Properties
- PSA: 113.81000
- LogP: -0.56520
2,4(3H,5H)-Pyrimidinedione,5-amino-6-hydrazinyl-3-methyl- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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