Cas no 14077-80-6 (2,4,6(1H,3H,5H)-Pyrimidinetrione,5-pentyl-)
14077-80-6 structure
Product Name:2,4,6(1H,3H,5H)-Pyrimidinetrione,5-pentyl-
CAS No:14077-80-6
MF:C9H14N2O3
MW:198.219062328339
CID:141768
PubChem ID:260786
Update Time:2025-04-19
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-pentyl-
- 5-pentyl-1,3-diazinane-2,4,6-trione
- 5-pentyl-barbituric acid
- 5-Pentyl-barbitursaeure
- 5-pentylpyrimidine-2,4,6(1h,3h,5h)-trione
- AC1L63VD
- AC1Q6GGJ
- AR-1G9372
- CTK4C2346
- NCIOpen2_001465
- NSC92500
- SureCN3911611
- DTXSID10293820
- NSC-92500
- 14077-80-6
- amyl barbiturate
- SCHEMBL3911611
-
- Inchi： 1S/C9H14N2O3/c1-2-3-4-5-6-7(12)10-9(14)11-8(6)13/h6H,2-5H2,1H3,(H2,10,11,12,13,14)
- InChI Key： KWYGDMBOVSXLOK-UHFFFAOYSA-N
- SMILES： O=C1C(C(NC(N1)=O)=O)CCCCC
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: 4
- Complexity: 243
- 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: 75.3?2
Experimental Properties
- PSA: 75.27
- LogP: 1.20650
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-pentyl- Related Literature
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
14077-80-6 (2,4,6(1H,3H,5H)-Pyrimidinetrione,5-pentyl-) 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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