Cas no 61693-30-9 (4(1H)-Pyrimidinone, 2,5-diamino-6-(dimethylamino)-)
61693-30-9 structure
Product Name:4(1H)-Pyrimidinone, 2,5-diamino-6-(dimethylamino)-
CAS No:61693-30-9
MF:C6H11N5O
MW:169.184439897537
CID:469794
PubChem ID:135850743
Update Time:2025-04-19
4(1H)-Pyrimidinone, 2,5-diamino-6-(dimethylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pyrimidinone, 2,5-diamino-6-(dimethylamino)-
- 2,5-diamino-6-(dimethylamino)-1H-pyrimidin-4-one
- 61693-30-9
- 2,5-Diamino-6-(dimethylamino)pyrimidin-4(1H)-one
- DTXSID70613449
- SCHEMBL11678082
-
- Inchi： 1S/C6H11N5O/c1-11(2)4-3(7)5(12)10-6(8)9-4/h7H2,1-2H3,(H3,8,9,10,12)
- InChI Key： IKDSQOUPDDEQOJ-UHFFFAOYSA-N
- SMILES： O=C1C(=C(N=C(N)N1)N(C)C)N
Computed Properties
- Exact Mass: 169.09653
- Monoisotopic Mass: 169.09635999g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- 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: -1.4
- Topological Polar Surface Area: 96.7?2
Experimental Properties
- PSA: 96.74
4(1H)-Pyrimidinone, 2,5-diamino-6-(dimethylamino)- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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