Cas no 78270-91-4 (2,4(1H,3H)-Pyrimidinedione,5,6-diamino-1-methyl-, hydrochloride (1:?))
78270-91-4 structure
Product Name:2,4(1H,3H)-Pyrimidinedione,5,6-diamino-1-methyl-, hydrochloride (1:?)
CAS No:78270-91-4
MF:C5H9ClN4O2
MW:192.6035592556
CID:576048
PubChem ID:157183
Update Time:2025-04-19
2,4(1H,3H)-Pyrimidinedione,5,6-diamino-1-methyl-, hydrochloride (1:?) Chemical and Physical Properties
Names and Identifiers
-
- 2,4(1H,3H)-Pyrimidinedione,5,6-diamino-1-methyl-, hydrochloride (1:?)
- 5,6-diamino-1-methylpyrimidine-2,4-dione,hydrochloride
- DTXSID90228933
- 2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-1-methyl-, hydrochloride
- 78270-91-4
-
- Inchi： 1S/C5H8N4O2.ClH/c1-9-3(7)2(6)4(10)8-5(9)11;/h6-7H2,1H3,(H,8,10,11);1H
- InChI Key： XQKNGXNXHAOOGF-UHFFFAOYSA-N
- SMILES： Cl.O=C1NC(C(=C(N)N1C)N)=O
Computed Properties
- Exact Mass: 192.041
- Monoisotopic Mass: 192.041
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 257
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 101?2
Experimental Properties
- Boiling Point: 277.1°C at 760 mmHg
- Flash Point: 121.4°C
2,4(1H,3H)-Pyrimidinedione,5,6-diamino-1-methyl-, hydrochloride (1:?) Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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