Cas no 1035270-94-0 (2-(4-methyl-1-piperazinyl)-5-Pyrimidinecarboxylic acid methyl ester)
1035270-94-0 structure
Product Name:2-(4-methyl-1-piperazinyl)-5-Pyrimidinecarboxylic acid methyl ester
CAS No:1035270-94-0
MF:C11H16N4O2
MW:236.270341873169
CID:1097006
PubChem ID:57440399
Update Time:2025-04-20
2-(4-methyl-1-piperazinyl)-5-Pyrimidinecarboxylic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-(4-methyl-1-piperazinyl)-5-Pyrimidinecarboxylic acid methyl ester
- SCHEMBL64090
- KUHJQHZEXRPKNU-UHFFFAOYSA-N
- DA-48225
- 1035270-94-0
- methyl 2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate
-
- Inchi： 1S/C11H16N4O2/c1-14-3-5-15(6-4-14)11-12-7-9(8-13-11)10(16)17-2/h7-8H,3-6H2,1-2H3
- InChI Key： KUHJQHZEXRPKNU-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=NC(=NC=1)N1CCN(C)CC1)=O
Computed Properties
- Exact Mass: 236.12732577g/mol
- Monoisotopic Mass: 236.12732577g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 258
- 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: 0.3
- Topological Polar Surface Area: 58.6?2
2-(4-methyl-1-piperazinyl)-5-Pyrimidinecarboxylic acid methyl ester 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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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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