Cas no 445481-71-0 (2,4(1H,3H)-Pyrimidinedione, 1-methyl-6-[(1-methylethyl)amino]-5-nitroso- (9CI))
![2,4(1H,3H)-Pyrimidinedione, 1-methyl-6-[(1-methylethyl)amino]-5-nitroso- (9CI) structure](https://ossimg.kuujia.com/scimg/445500/445481-71-0x500.png)
445481-71-0 structure
Product Name:2,4(1H,3H)-Pyrimidinedione, 1-methyl-6-[(1-methylethyl)amino]-5-nitroso- (9CI)
CAS No:445481-71-0
MF:C8H12N4O3
MW:212.205881118774
CID:327631
PubChem ID:45093268
Update Time:2025-04-19
2,4(1H,3H)-Pyrimidinedione, 1-methyl-6-[(1-methylethyl)amino]-5-nitroso- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 2,4(1H,3H)-Pyrimidinedione, 1-methyl-6-[(1-methylethyl)amino]-5-nitroso- (9CI)
- 1-methyl-5-nitroso-6-(propan-2-ylamino)pyrimidine-2,4-dione
- DTXSID70667164
- 445481-71-0
- 1-Methyl-5-nitroso-6-[(propan-2-yl)amino]pyrimidine-2,4(1H,3H)-dione
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- Inchi： 1S/C8H12N4O3/c1-4(2)9-6-5(11-15)7(13)10-8(14)12(6)3/h4,9H,1-3H3,(H,10,13,14)
- InChI Key： ORJBRBJCUMRUCJ-UHFFFAOYSA-N
- SMILES： O=C1NC(C(=C(N1C)NC(C)C)N=O)=O
Computed Properties
- Exact Mass: 212.09094026g/mol
- Monoisotopic Mass: 212.09094026g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 348
- 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: 0.3
- Topological Polar Surface Area: 90.9?2
2,4(1H,3H)-Pyrimidinedione, 1-methyl-6-[(1-methylethyl)amino]-5-nitroso- (9CI) Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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