Cas no 29052-39-9 (2,4(1H,3H)-Pyrimidinedione,1-methyl-6-(methylamino)-5-nitroso-)
29052-39-9 structure
Product Name:2,4(1H,3H)-Pyrimidinedione,1-methyl-6-(methylamino)-5-nitroso-
CAS No:29052-39-9
MF:C6H8N4O3
MW:184.152720451355
CID:284297
PubChem ID:255441
Update Time:2025-04-19
2,4(1H,3H)-Pyrimidinedione,1-methyl-6-(methylamino)-5-nitroso- Chemical and Physical Properties
Names and Identifiers
-
- 2,4(1H,3H)-Pyrimidinedione,1-methyl-6-(methylamino)-5-nitroso-
- 1-methyl-6-(methylamino)-5-nitrosopyrimidine-2,4-dione
- CCG-40403
- DTXSID40292225
- NSC81007
- 29052-39-9
- NSC-81007
- 1-methyl-6-(methylamino)-5-nitrosopyrimidine-2,4(1h,3h)-dione
-
- Inchi: 1S/C6H8N4O3/c1-7-4-3(9-13)5(11)8-6(12)10(4)2/h7H,1-2H3,(H,8,11,12)
- InChI Key: VEMYBCCEXKJJNR-UHFFFAOYSA-N
- SMILES: O=C1NC(C(=C(NC)N1C)N=O)=O
Computed Properties
- Exact Mass: 184.05974
- Monoisotopic Mass: 184.05964013g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 309
- 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: -0.5
- Topological Polar Surface Area: 90.9?2
Experimental Properties
- PSA: 90.87
2,4(1H,3H)-Pyrimidinedione,1-methyl-6-(methylamino)-5-nitroso- Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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