Cas no 5661-00-7 (5H-Cyclopentapyrimidine,6,7-dihydro-)
5661-00-7 structure
Product Name:5H-Cyclopentapyrimidine,6,7-dihydro-
CAS No:5661-00-7
MF:C7H8N2
MW:120.151821136475
CID:368193
PubChem ID:11829418
Update Time:2025-04-19
5H-Cyclopentapyrimidine,6,7-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 5H-Cyclopentapyrimidine,6,7-dihydro-
- 5H-Cyclopenta pyrimidine,6,7-dihydro-(6CI,7CI,8CI,9CI)
- 6,7-dihydro-5H-Cyclopentapyrimidine
- 4,5-Trimethylenepyrimidine
- 6,7-Dihydro-5H-cyclopenta[d]pyrimidine
- BJUPTJXRJDXLHF-UHFFFAOYSA-N
- 6,7-dihydro-5H-cyclopenta[d]pyrimidin
- 5661-00-7
- 5H-Cyclopentapyrimidine, 6,7-dihydro- (6CI,7CI,8CI,9CI)
- SCHEMBL35277
- AKOS015916948
-
- Inchi： 1S/C7H8N2/c1-2-6-4-8-5-9-7(6)3-1/h4-5H,1-3H2
- InChI Key： BJUPTJXRJDXLHF-UHFFFAOYSA-N
- SMILES： N1C=NC=C2C=1CCC2
Computed Properties
- Exact Mass: 120.06884
- Monoisotopic Mass: 120.068748264g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 103
- 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: 0.9
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- Density: 1.144
- Boiling Point: 224 oC
- Flash Point: 95 oC
- PSA: 25.78
5H-Cyclopentapyrimidine,6,7-dihydro- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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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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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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