Cas no 14077-82-8 (2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(3-methylbutyl)-)
14077-82-8 structure
Product Name:2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(3-methylbutyl)-
CAS No:14077-82-8
MF:C9H14N2O3
MW:198.219062328339
CID:204306
PubChem ID:351487
Update Time:2025-04-19
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(3-methylbutyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(3-methylbutyl)-
- 5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
- 2,6(1H,3H,5H)-Pyrimidinetrione, 5-(3-methylbutyl)-
- 5-(3-methyl-butyl)-pyrimidine-2,4,6-trione
- 5-Isoamylbarbitursaeure
- 5-isopentyl-barbituric acid
- 5-Isopentyl-barbitursaeure
- AC1L6YFR
- acide (methyl-3 butyl)-5 barbiturique
- NSC521915
- DTXSID50325932
- 5-(3-Methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione
- isoamylbarbituric acid
- NSC-521915
- 14077-82-8
-
- Inchi： 1S/C9H14N2O3/c1-5(2)3-4-6-7(12)10-9(14)11-8(6)13/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13,14)
- InChI Key： JXDJNYNWLLLKCG-UHFFFAOYSA-N
- SMILES： O=C1C(C(NC(N1)=O)=O)CCC(C)C
Computed Properties
- Exact Mass: 198.10052
- Monoisotopic Mass: 198.10044231g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 253
- 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
- Topological Polar Surface Area: 75.3?2
Experimental Properties
- PSA: 75.27
- LogP: 1.06240
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(3-methylbutyl)- Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
14077-82-8 (2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(3-methylbutyl)-) Related Products
- 57-44-3(Diethylmalonylurea)
- 1953-33-9(2,4,6(1H,3H,5H)-Pyrimidinetrione,5-butyl-)
- 57-43-2(amobarbital)
- 2518-72-1(5-ethyl-1,3-diazinane-2,4,6-trione)
- 7391-69-7(5-isopropylbarbituric acid)
- 125-40-6(2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-5-(1-methylpropyl)-)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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