Cas no 114562-87-7 (4H-Pyrazolo[3,4-d]pyrimidin-4-one,1,5-dihydro-1-tricyclo[3.3.1.13,7]dec-1-yl-)
![4H-Pyrazolo[3,4-d]pyrimidin-4-one,1,5-dihydro-1-tricyclo[3.3.1.13,7]dec-1-yl- structure](https://ossimg.kuujia.com/scimg/115000/114562-87-7x500.png)
114562-87-7 structure
Product Name:4H-Pyrazolo[3,4-d]pyrimidin-4-one,1,5-dihydro-1-tricyclo[3.3.1.13,7]dec-1-yl-
CAS No:114562-87-7
MF:C15H18N4O
MW:270.329622745514
CID:220074
PubChem ID:135618524
Update Time:2025-04-19
4H-Pyrazolo[3,4-d]pyrimidin-4-one,1,5-dihydro-1-tricyclo[3.3.1.13,7]dec-1-yl- Chemical and Physical Properties
Names and Identifiers
-
- 4H-Pyrazolo[3,4-d]pyrimidin-4-one,1,5-dihydro-1-tricyclo[3.3.1.13,7]dec-1-yl-
- 1-(1-adamantyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
- 114562-87-7
- DTXSID80921421
- 1-(Adamantan-1-yl)-1,2-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
- 1-(Adamantan-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
- 1-(1-Adamantyl)-2H-pyrazolo(3,4-d)pyrimidin-4-one
- 1-(adamantan-1-yl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
-
- Inchi： 1S/C15H18N4O/c20-14-12-7-18-19(13(12)16-8-17-14)15-4-9-1-10(5-15)3-11(2-9)6-15/h7-11H,1-6H2,(H,16,17,20)
- InChI Key： JJRCQCMVYWUOBQ-UHFFFAOYSA-N
- SMILES： O=C1C2C=NN(C=2N=CN1)C12CC3CC(CC(C3)C1)C2
Computed Properties
- Exact Mass: 270.14824
- Monoisotopic Mass: 270.148
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 547
- 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: 2.3
- Topological Polar Surface Area: 59.3?2
Experimental Properties
- Density: 1.69
- Boiling Point: 419.8°C at 760 mmHg
- Flash Point: 207.7°C
- Refractive Index: 1.889
- PSA: 57.06
4H-Pyrazolo[3,4-d]pyrimidin-4-one,1,5-dihydro-1-tricyclo[3.3.1.13,7]dec-1-yl- Related Literature
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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