Cas no 58554-02-2 (4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro-9-methyl-2-phenyl-)
58554-02-2 structure
Product Name:4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro-9-methyl-2-phenyl-
CAS No:58554-02-2
MF:C15H16N2O
MW:240.300343513489
CID:341679
PubChem ID:12339724
Update Time:2025-04-19
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro-9-methyl-2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro-9-methyl-2-phenyl-
- 9-methyl-2-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
- 58554-02-2
- 9-Methyl-2-phenyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
- DTXSID80491811
-
- Inchi: 1S/C15H16N2O/c1-11-6-5-9-17-14(18)10-13(16-15(11)17)12-7-3-2-4-8-12/h2-4,7-8,10-11H,5-6,9H2,1H3
- InChI Key: UMYYVAYVBUXWHG-UHFFFAOYSA-N
- SMILES: O=C1C=C(C2C=CC=CC=2)N=C2C(C)CCCN21
Computed Properties
- Exact Mass: 240.12638
- Monoisotopic Mass: 240.126263138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 405
- 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: 2.1
- Topological Polar Surface Area: 32.7?2
Experimental Properties
- PSA: 32.67
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro-9-methyl-2-phenyl- Related Literature
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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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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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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