Cas no 51168-81-1 (4(3H)-Pyrimidinone,5,6-diamino-2-(dimethylamino)-, hydrochloride (1:2))
51168-81-1 structure
Product Name:4(3H)-Pyrimidinone,5,6-diamino-2-(dimethylamino)-, hydrochloride (1:2)
CAS No:51168-81-1
MF:C6H12ClN5O
MW:205.645379066467
CID:382290
PubChem ID:135539543
Update Time:2025-04-19
4(3H)-Pyrimidinone,5,6-diamino-2-(dimethylamino)-, hydrochloride (1:2) Chemical and Physical Properties
Names and Identifiers
-
- 4(3H)-Pyrimidinone,5,6-diamino-2-(dimethylamino)-, hydrochloride (1:2)
- 5,6-diamino-2-(dimethylamino)-1H-pyrimidin-4-one,hydrochloride
- NSC170928
- NSC-170928
- 5,6-Diamino-2-(dimethylamino)pyrimidin-4(1H)-one--hydrogen chloride (1/1)
- DTXSID60715183
- 51168-81-1
-
- Inchi： 1S/C6H11N5O.ClH/c1-11(2)6-9-4(8)3(7)5(12)10-6;/h7H2,1-2H3,(H3,8,9,10,12);1H
- InChI Key： AQXYUIPWRLLQKU-UHFFFAOYSA-N
- SMILES： Cl.O=C1C(=C(N)N=C(N1)N(C)C)N
Computed Properties
- Exact Mass: 169.09653
- Monoisotopic Mass: 205.073
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 278
- 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: 96.7A^2
Experimental Properties
- Density: 1.53
- Boiling Point: 250.7°Cat760mmHg
- Flash Point: 105.4°C
- Refractive Index: 1.69
- PSA: 96.74
- LogP: 0.96470
4(3H)-Pyrimidinone,5,6-diamino-2-(dimethylamino)-, hydrochloride (1:2) Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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