Cas no 61568-02-3 (2,4(1H,3H)-Pyrimidinedione, 5-(1-methylpropyl)-)
61568-02-3 structure
Product Name:2,4(1H,3H)-Pyrimidinedione, 5-(1-methylpropyl)-
CAS No:61568-02-3
MF:C8H12N2O2
MW:168.193081855774
CID:474521
PubChem ID:587021
Update Time:2025-04-19
2,4(1H,3H)-Pyrimidinedione, 5-(1-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4(1H,3H)-Pyrimidinedione, 5-(1-methylpropyl)-
- 5-butan-2-yl-1H-pyrimidine-2,4-dione
- 5-sec-Butyluracil
- 5-Sec-butyl-2,4(1H,3H)-pyrimidinedione #
- DTXSID70343052
- WJJQDMCCKSOEST-UHFFFAOYSA-N
- 61568-02-3
- 5-SEC-BUTYL-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE
-
- Inchi： 1S/C8H12N2O2/c1-3-5(2)6-4-9-8(12)10-7(6)11/h4-5H,3H2,1-2H3,(H2,9,10,11,12)
- InChI Key： WJJQDMCCKSOEST-UHFFFAOYSA-N
- SMILES： O=C1C(=CNC(N1)=O)C(C)CC
Computed Properties
- Exact Mass: 168.08996
- Monoisotopic Mass: 168.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 245
- 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: 0.7
- Topological Polar Surface Area: 58.2?2
Experimental Properties
- PSA: 58.2
2,4(1H,3H)-Pyrimidinedione, 5-(1-methylpropyl)- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
61568-02-3 (2,4(1H,3H)-Pyrimidinedione, 5-(1-methylpropyl)-) Related Products
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