Cas no 64171-54-6 (Pyrimidine,2-methyl-5-(1-methylethyl)-)
64171-54-6 structure
Product Name:Pyrimidine,2-methyl-5-(1-methylethyl)-
CAS No:64171-54-6
MF:C8H12N2
MW:136.194281578064
CID:500037
PubChem ID:12356149
Update Time:2025-04-19
Pyrimidine,2-methyl-5-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine,2-methyl-5-(1-methylethyl)-
- Pyrimidine, 2-methyl-5-(1-methylethyl)- (9CI)
- 64171-54-6
- 5-Isopropyl-2-methylpyrimidine
- SCHEMBL3265716
-
- Inchi： 1S/C8H12N2/c1-6(2)8-4-9-7(3)10-5-8/h4-6H,1-3H3
- InChI Key： VMNAOJIRTPMBEI-UHFFFAOYSA-N
- SMILES： N1C(C)=NC=C(C=1)C(C)C
Computed Properties
- Exact Mass: 136.10016
- Monoisotopic Mass: 136.100048391g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 93.4
- 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: 1.7
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- PSA: 25.78
Pyrimidine,2-methyl-5-(1-methylethyl)- Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
64171-54-6 (Pyrimidine,2-methyl-5-(1-methylethyl)-) Related Products
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