Cas no 53761-36-7 (2,4(1H,3H)-Pyrimidinedione,5-(2-hydroxybutyl)-)
53761-36-7 structure
Product Name:2,4(1H,3H)-Pyrimidinedione,5-(2-hydroxybutyl)-
CAS No:53761-36-7
MF:C8H12N2O3
MW:184.192481994629
CID:381499
PubChem ID:300855
Update Time:2025-04-19
2,4(1H,3H)-Pyrimidinedione,5-(2-hydroxybutyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4(1H,3H)-Pyrimidinedione,5-(2-hydroxybutyl)-
- 5-(2-hydroxybutyl)-1H-pyrimidine-2,4-dione
- 5-(2-hydroxy-butyl)-1H-pyrimidine-2,4-dione
- 5-(2-hydroxybutyl)pyrimidine-2,4(1H,3H)-dione
- AC1L6X73
- NSC176322
- DTXSID50306428
- 53761-36-7
- NSC-176322
-
- Inchi： 1S/C8H12N2O3/c1-2-6(11)3-5-4-9-8(13)10-7(5)12/h4,6,11H,2-3H2,1H3,(H2,9,10,12,13)
- InChI Key： UONZPRUVXKXATB-UHFFFAOYSA-N
- SMILES： OC(CC)CC1=CNC(NC1=O)=O
Computed Properties
- Exact Mass: 184.08486
- Monoisotopic Mass: 184.08479225g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 260
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.4
- Topological Polar Surface Area: 78.4?2
Experimental Properties
- PSA: 78.43
- LogP: -0.62340
2,4(1H,3H)-Pyrimidinedione,5-(2-hydroxybutyl)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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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
53761-36-7 (2,4(1H,3H)-Pyrimidinedione,5-(2-hydroxybutyl)-) Related Products
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