Cas no 648414-39-5 (4(1H)-Pyrimidinone, 2-(diethylamino)-6-methyl-5-nitro-)
648414-39-5 structure
Product Name:4(1H)-Pyrimidinone, 2-(diethylamino)-6-methyl-5-nitro-
CAS No:648414-39-5
MF:C9H14N4O3
MW:226.232461452484
CID:415368
PubChem ID:136275139
Update Time:2025-04-19
4(1H)-Pyrimidinone, 2-(diethylamino)-6-methyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pyrimidinone, 2-(diethylamino)-6-methyl-5-nitro-
- 2-(diethylamino)-6-methyl-5-nitro-1H-pyrimidin-4-one
- 648414-39-5
- DTXSID00801155
- 2-(Diethylamino)-6-methyl-5-nitropyrimidin-4(1H)-one
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- Inchi： 1S/C9H14N4O3/c1-4-12(5-2)9-10-6(3)7(13(15)16)8(14)11-9/h4-5H2,1-3H3,(H,10,11,14)
- InChI Key： VSMZRJLRENCBMW-UHFFFAOYSA-N
- SMILES： O=C1C(=C(C)N=C(N1)N(CC)CC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 226.10659032g/mol
- Monoisotopic Mass: 226.10659032g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 377
- 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: 90.5?2
4(1H)-Pyrimidinone, 2-(diethylamino)-6-methyl-5-nitro- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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