Cas no 28918-80-1 (Pyrimidine,4-(2,2-dimethylpropyl)-)
28918-80-1 structure
Product Name:Pyrimidine,4-(2,2-dimethylpropyl)-
CAS No:28918-80-1
MF:C9H14N2
MW:150.220861911774
CID:240094
PubChem ID:45080394
Update Time:2025-04-19
Pyrimidine,4-(2,2-dimethylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine,4-(2,2-dimethylpropyl)-
- Pyrimidine,4-neopentyl- (8CI)
- 28918-80-1
- SCHEMBL803111
- 4-Neopentylpyrimidine
- 4-(2,2-dimethyl-propyl)-pyrimidine
- LVTKWUZEGSBNKS-UHFFFAOYSA-N
-
- Inchi： 1S/C9H14N2/c1-9(2,3)6-8-4-5-10-7-11-8/h4-5,7H,6H2,1-3H3
- InChI Key： LVTKWUZEGSBNKS-UHFFFAOYSA-N
- SMILES： N1C=NC=CC=1CC(C)(C)C
Computed Properties
- Exact Mass: 150.11582
- Monoisotopic Mass: 150.115698455g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 115
- 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: 1.8
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- PSA: 25.78
Pyrimidine,4-(2,2-dimethylpropyl)- Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
28918-80-1 (Pyrimidine,4-(2,2-dimethylpropyl)-) Related Products
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