Cas no 226247-00-3 (4-Pyrimidinecarboxylicacid, 3,4,5,6-tetrahydro-2-methyl-, methyl ester)
226247-00-3 structure
Product Name:4-Pyrimidinecarboxylicacid, 3,4,5,6-tetrahydro-2-methyl-, methyl ester
CAS No:226247-00-3
MF:C7H12N2O2
MW:156.182381629944
CID:244807
PubChem ID:45082170
Update Time:2025-04-19
4-Pyrimidinecarboxylicacid, 3,4,5,6-tetrahydro-2-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinecarboxylicacid, 3,4,5,6-tetrahydro-2-methyl-, methyl ester
- methyl 2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylate
- 1,4,5,6-Tetrahydro-2-methylpyrimidin-4-carboxylicacid methyl ester
- 4-Pyrimidinecarboxylicacid, 1,4,5,6-tetrahydro-2-methyl-, methyl ester (9CI)
- Methyl2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylate
- SCHEMBL2220133
- DTXSID20665150
- 226247-00-3
- Methyl 2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylate
- Methyl 2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylate
-
- Inchi： 1S/C7H12N2O2/c1-5-8-4-3-6(9-5)7(10)11-2/h6H,3-4H2,1-2H3,(H,8,9)
- InChI Key： DQBNBFWGRZJQLR-UHFFFAOYSA-N
- SMILES： O(C)C(C1CCN=C(C)N1)=O
Computed Properties
- Exact Mass: 156.08996
- Monoisotopic Mass: 156.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 189
- 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
- Topological Polar Surface Area: 50.7A^2
- XLogP3: -0.5
Experimental Properties
- PSA: 50.69
4-Pyrimidinecarboxylicacid, 3,4,5,6-tetrahydro-2-methyl-, methyl ester Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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