Cas no 341011-20-9 (5-Pyrimidinecarboxylicacid, 1,2,3,4-tetrahydro-4,6-dimethyl-2-oxo-, methyl ester)
341011-20-9 structure
Product Name:5-Pyrimidinecarboxylicacid, 1,2,3,4-tetrahydro-4,6-dimethyl-2-oxo-, methyl ester
CAS No:341011-20-9
MF:C8H12N2O3
MW:184.192481994629
CID:302186
PubChem ID:12333395
Update Time:2025-04-19
5-Pyrimidinecarboxylicacid, 1,2,3,4-tetrahydro-4,6-dimethyl-2-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- 5-Pyrimidinecarboxylicacid, 1,2,3,4-tetrahydro-4,6-dimethyl-2-oxo-, methyl ester
- 5-Pyrimidinecarboxylicacid,1,2,3,4-tetrahydro-4,6-dimethyl-2-oxo-,methylester(9CI)
- methyl 4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
- methyl4,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- methyl 4,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- SCHEMBL23574460
- 341011-20-9
-
- Inchi： 1S/C8H12N2O3/c1-4-6(7(11)13-3)5(2)10-8(12)9-4/h4H,1-3H3,(H2,9,10,12)
- InChI Key： UTNYTXGLYBQBNL-UHFFFAOYSA-N
- SMILES： O(C)C(C1=C(C)NC(NC1C)=O)=O
Computed Properties
- Exact Mass: 184.08479225g/mol
- Monoisotopic Mass: 184.08479225g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 283
- 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: -0.3
- Topological Polar Surface Area: 67.4?2
5-Pyrimidinecarboxylicacid, 1,2,3,4-tetrahydro-4,6-dimethyl-2-oxo-, methyl ester Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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