Cas no 16858-57-4 (4-Pyrimidinecarbonitrile,2-hydrazinyl-6-methyl-)
16858-57-4 structure
Product Name:4-Pyrimidinecarbonitrile,2-hydrazinyl-6-methyl-
CAS No:16858-57-4
MF:C6H7N5
MW:149.153279542923
CID:121934
PubChem ID:45080454
Update Time:2025-04-18
4-Pyrimidinecarbonitrile,2-hydrazinyl-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinecarbonitrile,2-hydrazinyl-6-methyl-
- 2-hydrazinyl-6-methylpyrimidine-4-carbonitrile
- 4-Pyrimidinecarbonitrile, 2-hydrazino-6-methyl- (8CI)
- 16858-57-4
- DTXSID501250231
- 2-Hydrazinyl-6-methyl-4-pyrimidinecarbonitrile
- AKOS006336104
-
- Inchi： 1S/C6H7N5/c1-4-2-5(3-7)10-6(9-4)11-8/h2H,8H2,1H3,(H,9,10,11)
- InChI Key： XAHBOAQAXCHCFA-UHFFFAOYSA-N
- SMILES： N1C(NN)=NC(C#N)=CC=1C
Computed Properties
- Exact Mass: 149.07031
- Monoisotopic Mass: 149.07014524g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 171
- 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: 0.2
- Topological Polar Surface Area: 87.6?2
Experimental Properties
- PSA: 87.62
4-Pyrimidinecarbonitrile,2-hydrazinyl-6-methyl- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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