Cas no 61693-31-0 (4(1H)-Pyrimidinone, 5,6-diamino-2-(dimethylamino)-)
61693-31-0 structure
Product Name:4(1H)-Pyrimidinone, 5,6-diamino-2-(dimethylamino)-
CAS No:61693-31-0
MF:C6H11N5O
MW:169.184439897537
CID:469792
PubChem ID:135469031
Update Time:2025-04-19
4(1H)-Pyrimidinone, 5,6-diamino-2-(dimethylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pyrimidinone, 5,6-diamino-2-(dimethylamino)-
- 5,6-diamino-2-(dimethylamino)-1H-pyrimidin-4-one
- SCHEMBL11683196
- DTXSID10329916
- AC1L8F1V
- 5,6-Diamino-2-(dimethylamino)pyrimidin-4(1H)-one
- 61693-31-0
-
- Inchi: 1S/C6H11N5O/c1-11(2)6-9-4(8)3(7)5(12)10-6/h7H2,1-2H3,(H3,8,9,10,12)
- InChI Key: UFLRXOVYYPNPLZ-UHFFFAOYSA-N
- SMILES: O=C1C(=C(N)N=C(N1)N(C)C)N
Computed Properties
- Exact Mass: 169.09653
- Monoisotopic Mass: 169.096
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 278
- 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: -1.7
- Topological Polar Surface Area: 96.7?2
Experimental Properties
- PSA: 96.74
4(1H)-Pyrimidinone, 5,6-diamino-2-(dimethylamino)- Related Literature
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
61693-31-0 (4(1H)-Pyrimidinone, 5,6-diamino-2-(dimethylamino)-) Related Products
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