Cas no 13922-45-7 ( )
structure
Product Name:
CAS No:13922-45-7
MF:C7H11N3O3
MW:185.180541276932
CID:902694
PubChem ID:264590
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 6-[(dimethylamino)methyl]-5-hydroxy-1H-pyrimidine-2,4-dione
- NSC 99738
- 6-((Dimethylamino)methyl)-2,4,5-pyrimidinetriol
- 6-((Dimethylamino)methyl)-5-hydroxypyrimidine-2,4(1H,3H)-dione
- ISOBARBITURIC ACID, 6-((DIMETHYLAMINO)METHYL)-
- NSC-99738
- I4G66NBJ4Z
- 6-(dimethylaminomethyl)pyrimidine-2,4,5-triol
- DTXSID30160964
- UNII-I4G66NBJ4Z
- 2,4(1H,3H)-PYRIMIDINEDIONE, 6-((DIMETHYLAMINO)METHYL)-5-HYDROXY-
- NSC99738
- 13922-45-7
-
-
- Inchi： 1S/C7H11N3O3/c1-10(2)3-4-5(11)6(12)9-7(13)8-4/h11H,3H2,1-2H3,(H2,8,9,12,13)
- InChI Key： VDRAPYOIEOAAAO-UHFFFAOYSA-N
- SMILES： OC1C(NC(NC=1CN(C)C)=O)=O
Computed Properties
- Exact Mass: 185.08004122g/mol
- Monoisotopic Mass: 185.08004122g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 283
- 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: -1.3
- Topological Polar Surface Area: 81.7?2
Related Literature
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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
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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