Cas no 668484-57-9 (Pyrimidine, 2-[(3R)-3-methyl-1-piperazinyl]- (9CI))
![Pyrimidine, 2-[(3R)-3-methyl-1-piperazinyl]- (9CI) structure](https://ossimg.kuujia.com/scimg/668500/668484-57-9x500.png)
668484-57-9 structure
Product Name:Pyrimidine, 2-[(3R)-3-methyl-1-piperazinyl]- (9CI)
CAS No:668484-57-9
MF:C9H14N4
MW:178.234261035919
CID:964774
PubChem ID:45099694
Update Time:2025-04-19
Pyrimidine, 2-[(3R)-3-methyl-1-piperazinyl]- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Pyrimidine, 2-[(3R)-3-methyl-1-piperazinyl]- (9CI)
- 2-[(3S)-3-MMETHYLPIPERAZIN-1-YL]PYRIMIDINE
- NCORXGRXMXIUCY-MRVPVSSYSA-N
- SCHEMBL2244390
- (R)-2-(3-methylpiperazin-1-yl)pyrimidine
- 668484-57-9
- 2-[(3R)-3-methylpiperazin-1-yl]pyrimidine
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- Inchi： 1S/C9H14N4/c1-8-7-13(6-5-10-8)9-11-3-2-4-12-9/h2-4,8,10H,5-7H2,1H3/t8-/m1/s1
- InChI Key： NCORXGRXMXIUCY-MRVPVSSYSA-N
- SMILES： N1(C2N=CC=CN=2)CCN[C@H](C)C1
Computed Properties
- Exact Mass: 178.12202
- Monoisotopic Mass: 178.122
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 156
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 41A^2
- XLogP3: 0.4
Experimental Properties
- PSA: 41.05
Pyrimidine, 2-[(3R)-3-methyl-1-piperazinyl]- (9CI) Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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