Cas no 69912-22-7 (Pyrimido[1,2-a]azepin-4(6H)-one, 7,8,9,10-tetrahydro-2-methyl-)
![Pyrimido[1,2-a]azepin-4(6H)-one, 7,8,9,10-tetrahydro-2-methyl- structure](https://ossimg.kuujia.com/scimg/70000/69912-22-7x500.png)
69912-22-7 structure
Product Name:Pyrimido[1,2-a]azepin-4(6H)-one, 7,8,9,10-tetrahydro-2-methyl-
CAS No:69912-22-7
MF:C10H14N2O
MW:178.230962276459
CID:391151
PubChem ID:718922
Update Time:2025-04-19
Pyrimido[1,2-a]azepin-4(6H)-one, 7,8,9,10-tetrahydro-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimido[1,2-a]azepin-4(6H)-one, 7,8,9,10-tetrahydro-2-methyl-
- 2-methyl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
- AKOS001027183
- 6-methyl-2,3-pentamethylene-3,4-dihydropyrimidin-4-one
- DTXSID30352100
- 2-METHYL-7,8,9,10-TETRAHYDROPYRIMIDO(1,2-A)AZEPIN-4(6H)-ONE
- 69912-22-7
-
- Inchi： 1S/C10H14N2O/c1-8-7-10(13)12-6-4-2-3-5-9(12)11-8/h7H,2-6H2,1H3
- InChI Key： DMFZVKFRXTZJLR-UHFFFAOYSA-N
- SMILES： O=C1C=C(C)N=C2CCCCCN21
Computed Properties
- Exact Mass: 178.11072
- Monoisotopic Mass: 178.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 291
- 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: 0.6
- Topological Polar Surface Area: 32.7?2
Experimental Properties
- PSA: 32.67
Pyrimido[1,2-a]azepin-4(6H)-one, 7,8,9,10-tetrahydro-2-methyl- Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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