Cas no 501126-08-5 (1-Piperazinecarboxylic acid, 4-(5-ethyl-2-pyrimidinyl)-, 1,1-dimethylethylester)
501126-08-5 structure
Product Name:1-Piperazinecarboxylic acid, 4-(5-ethyl-2-pyrimidinyl)-, 1,1-dimethylethylester
CAS No:501126-08-5
MF:C15H24N4O2
MW:292.376663208008
CID:1557202
PubChem ID:53305712
Update Time:2025-04-21
1-Piperazinecarboxylic acid, 4-(5-ethyl-2-pyrimidinyl)-, 1,1-dimethylethylester Chemical and Physical Properties
Names and Identifiers
-
- 1-Piperazinecarboxylic acid, 4-(5-ethyl-2-pyrimidinyl)-, 1,1-dimethylethylester
- 501126-08-5
- 4-(5-Ethyl-pyrimidin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester
- tert-butyl 4-(5-ethylpyrimidin-2-yl)piperazin-1-carboxylate
- SCHEMBL713942
- DB-405458
- tert-butyl 4-(5-ethylpyrimidin-2-yl)piperazine-1-carboxylate
- HWGWISRVEWQRIQ-UHFFFAOYSA-N
-
- Inchi： 1S/C15H24N4O2/c1-5-12-10-16-13(17-11-12)18-6-8-19(9-7-18)14(20)21-15(2,3)4/h10-11H,5-9H2,1-4H3
- InChI Key： HWGWISRVEWQRIQ-UHFFFAOYSA-N
- SMILES： O(C(N1CCN(C2N=CC(CC)=CN=2)CC1)=O)C(C)(C)C
Computed Properties
- Exact Mass: 292.19012
- Monoisotopic Mass: 292.18992602g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 340
- 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: 2.1
- Topological Polar Surface Area: 58.6?2
Experimental Properties
- PSA: 58.56
1-Piperazinecarboxylic acid, 4-(5-ethyl-2-pyrimidinyl)-, 1,1-dimethylethylester Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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