Cas no 333439-11-5 (4,6-Dimethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid isopropyl ester)
333439-11-5 structure
Product Name:4,6-Dimethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid isopropyl ester
CAS No:333439-11-5
MF:C10H16N2O3
MW:212.245642662048
CID:301840
Update Time:2023-08-02
4,6-Dimethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid isopropyl ester Chemical and Physical Properties
Names and Identifiers
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- 5-Pyrimidinecarboxylicacid, 1,2,3,4-tetrahydro-4,6-dimethyl-2-oxo-, 1-methylethyl ester
- 5-Pyrimidinecarboxylicacid,1,2,3,4-tetrahydro-4,6-dimethyl-2-oxo-,1-methylethylester(9CI)
- propan-2-yl 4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
- Oprea1_371727
- Oprea1_269225
- MLS000070517
- HMS2405K15
- SMR000010861
- Isopropyl 4,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- 4,6-Dimethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid isopropyl ester
- 5-pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-4,6-dimethyl-2-oxo-,1-methylethyl ester
-
- Inchi： 1S/C10H16N2O3/c1-5(2)15-9(13)8-6(3)11-10(14)12-7(8)4/h5-6H,1-4H3,(H2,11,12,14)
- InChI Key： TXNVABXLPVOFQZ-UHFFFAOYSA-N
- SMILES： O(C(C)C)C(C1=C(C)NC(NC1C)=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 321
- Topological Polar Surface Area: 67.4
4,6-Dimethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid isopropyl ester Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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