Cas no 61693-25-2 (4(1H)-Pyrimidinone, 5,6-diamino-2-(methylamino)-)
61693-25-2 structure
Product Name:4(1H)-Pyrimidinone, 5,6-diamino-2-(methylamino)-
CAS No:61693-25-2
MF:C5H9N5O
MW:155.157859563828
CID:469799
PubChem ID:135464817
Update Time:2025-04-19
4(1H)-Pyrimidinone, 5,6-diamino-2-(methylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pyrimidinone, 5,6-diamino-2-(methylamino)-
- 5,6-diamino-2-(methylamino)-1H-pyrimidin-4-one
- 5,6-DIAMINO-2-(METHYLAMINO)PYRIMIDIN-4(3H)-ONE
- 4,5-diamino-2-(methylamino)-1H-pyrimidin-6-one
- SB57200
- 61693-25-2
- SCHEMBL11683430
- DTXSID20360890
- 5,6-diamino-2-(methylamino)pyrimidin-4(1H)-one
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- Inchi： 1S/C5H9N5O/c1-8-5-9-3(7)2(6)4(11)10-5/h6H2,1H3,(H4,7,8,9,10,11)
- InChI Key： DDIJDBWODRIYDS-UHFFFAOYSA-N
- SMILES： O=C1C(=C(N)N=C(NC)N1)N
Computed Properties
- Exact Mass: 155.08087
- Monoisotopic Mass: 155.08070993g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 254
- 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: -1.8
- Topological Polar Surface Area: 106?2
Experimental Properties
- PSA: 105.53
4(1H)-Pyrimidinone, 5,6-diamino-2-(methylamino)- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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