Cas no 77139-90-3 (2,4(1H,3H)-Pyrimidinedione, 5-methyl-1-pentyl-)
77139-90-3 structure
Product Name:2,4(1H,3H)-Pyrimidinedione, 5-methyl-1-pentyl-
CAS No:77139-90-3
MF:C10H16N2O2
MW:196.246242523193
CID:536701
PubChem ID:20076510
Update Time:2025-04-19
2,4(1H,3H)-Pyrimidinedione, 5-methyl-1-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4(1H,3H)-Pyrimidinedione, 5-methyl-1-pentyl-
- 5-methyl-1-pentylpyrimidine-2,4-dione
- 77139-90-3
- 5-Methyl-1-pentylpyrimidine-2,4(1H,3H)-dione
- SCHEMBL13261412
- DTXSID90602178
- 1-(5-pentyl)thymine
-
- Inchi： 1S/C10H16N2O2/c1-3-4-5-6-12-7-8(2)9(13)11-10(12)14/h7H,3-6H2,1-2H3,(H,11,13,14)
- InChI Key： GTQUTMNRQOJYQR-UHFFFAOYSA-N
- SMILES： O=C1NC(C(C)=CN1CCCCC)=O
Computed Properties
- Exact Mass: 196.12128
- Monoisotopic Mass: 196.121177757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 271
- 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: 1.4
- Topological Polar Surface Area: 49.4?2
Experimental Properties
- PSA: 49.41
2,4(1H,3H)-Pyrimidinedione, 5-methyl-1-pentyl- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
77139-90-3 (2,4(1H,3H)-Pyrimidinedione, 5-methyl-1-pentyl-) Related Products
- 4160-77-4(2,4(1H,3H)-Pyrimidinedione,3,5-dimethyl-)
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- 4869-46-9(1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde)
- 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)
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