Cas no 80676-54-6 (Pyrimidine,1,4,5,6-tetrahydro-2-(1-methylpropyl)-)
80676-54-6 structure
Product Name:Pyrimidine,1,4,5,6-tetrahydro-2-(1-methylpropyl)-
CAS No:80676-54-6
MF:C8H16N2
MW:140.226041793823
CID:731334
PubChem ID:339768
Update Time:2025-04-19
Pyrimidine,1,4,5,6-tetrahydro-2-(1-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine,1,4,5,6-tetrahydro-2-(1-methylpropyl)-
- 2-butan-2-yl-1,4,5,6-tetrahydropyrimidine
- AKOS006356727
- NSC-367611
- NSC367611
- DTXSID00320992
- 80676-54-6
-
- Inchi： 1S/C8H16N2/c1-3-7(2)8-9-5-4-6-10-8/h7H,3-6H2,1-2H3,(H,9,10)
- InChI Key： QXGVHVNNHKSENL-UHFFFAOYSA-N
- SMILES： N1CCCN=C1C(C)CC
Computed Properties
- Exact Mass: 140.131348519g/mol
- Monoisotopic Mass: 140.131348519g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 129
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 24.4?2
Pyrimidine,1,4,5,6-tetrahydro-2-(1-methylpropyl)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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