Cas no 33386-14-0 (4-(2-pyrimidinyl)-1-Piperazinebutanenitrile)
33386-14-0 structure
Product Name:4-(2-pyrimidinyl)-1-Piperazinebutanenitrile
CAS No:33386-14-0
MF:C12H17N5
MW:231.296881437302
CID:1111036
PubChem ID:398654
Update Time:2025-04-20
4-(2-pyrimidinyl)-1-Piperazinebutanenitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-(2-pyrimidinyl)-1-Piperazinebutanenitrile
- 4-(4-pyrimidin-2-ylpiperazin-1-yl)butanenitrile
- 4-[4-(2-Pyrimidinyl)-1-piperazinyl]butyronitrile
- 33386-14-0
- SCHEMBL8890595
- DTXSID40327980
- 1-(3-cyanopropyl)-4-(2-pyrimidinyl)piperazine
- 4-(4-(Pyrimidin-2-yl)piperazin-1-yl)butanenitrile
- 1-Piperazinebutanenitrile, 4-(2-pyrimidinyl)-
- 4-(2-pyrimidinyl)-1-(3-cyanopropyl)piperazine
- YSPSCGBXXQSAFS-UHFFFAOYSA-N
- AKOS000179345
- 1-(3-cyanopropyl)-4-(2-pyrimidinyl)-piperazine
-
- Inchi： 1S/C12H17N5/c13-4-1-2-7-16-8-10-17(11-9-16)12-14-5-3-6-15-12/h3,5-6H,1-2,7-11H2
- InChI Key： YSPSCGBXXQSAFS-UHFFFAOYSA-N
- SMILES： N1(CCCC#N)CCN(C2N=CC=CN=2)CC1
Computed Properties
- Exact Mass: 231.14839556g/mol
- Monoisotopic Mass: 231.14839556g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 257
- 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: 0.5
- Topological Polar Surface Area: 56?2
4-(2-pyrimidinyl)-1-Piperazinebutanenitrile Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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