Cas no 349650-89-1 (5-Pyrimidinecarboxylicacid, 4-hexyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-, methyl ester)
349650-89-1 structure
Product Name:5-Pyrimidinecarboxylicacid, 4-hexyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-, methyl ester
CAS No:349650-89-1
MF:C13H22N2O3
MW:254.325383663177
CID:302798
PubChem ID:11459475
Update Time:2025-04-19
5-Pyrimidinecarboxylicacid, 4-hexyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- 5-Pyrimidinecarboxylicacid, 4-hexyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-, methyl ester
- 5-Pyrimidinecarboxylicacid,4-hexyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-,methylester(9CI)
- methyl 4-hexyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
- 5-pyrimidinecarboxylic acid,4-hexyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-,methyl ester
- 349650-89-1
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- Inchi： 1S/C13H22N2O3/c1-4-5-6-7-8-10-11(12(16)18-3)9(2)14-13(17)15-10/h10H,4-8H2,1-3H3,(H2,14,15,17)
- InChI Key： SOWYXQHCWIMGMR-UHFFFAOYSA-N
- SMILES： O(C)C(C1=C(C)NC(NC1CCCCCC)=O)=O
Computed Properties
- Exact Mass: 254.16304257g/mol
- Monoisotopic Mass: 254.16304257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 350
- 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: 2.2
- Topological Polar Surface Area: 67.4?2
5-Pyrimidinecarboxylicacid, 4-hexyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-, methyl ester Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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