Cas no 33115-31-0 (Pyrimidine,5-(1-methylethyl)-)
Pyrimidine,5-(1-methylethyl)- structure
Product Name:Pyrimidine,5-(1-methylethyl)-
CAS No:33115-31-0
MF:C7H10N2
MW:122.167701244354
CID:294051
Update Time:2024-01-27
Pyrimidine,5-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine,5-(1-methylethyl)-
- Pyrimidine,5-isopropyl- (6CI,8CI)
- Pyrimidine, 5-isopropyl- (6CI,8CI)
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- Inchi： 1S/C7H10N2/c1-6(2)7-3-8-5-9-4-7/h3-6H,1-2H3
- InChI Key： BAUXVVCVEDWRGY-UHFFFAOYSA-N
- SMILES： C1=NC=C(C(C)C)C=N1
Computed Properties
- Exact Mass: 122.0845
- Monoisotopic Mass: 122.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 75
- 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: 0.8
- Topological Polar Surface Area: 25.8A^2
Experimental Properties
- PSA: 25.78
Pyrimidine,5-(1-methylethyl)- Related Literature
-
1. Polyfluoroheterocyclic compounds. Part XXV. Thermal reactions of perfluoroalkylpyridazinesRichard D. Chambers,Michael Clark,Jorje R. Maslakiewicz,W. Kenneth R. Musgrave,Peter G. Urben J. Chem. Soc. Perkin Trans. 1 1974 1513
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