Cas no 5421-82-9 (4H-Pyrazolo[3,4-d]pyrimidin-4-one,6-[[3-(dimethylamino)propyl]amino]-1,5-dihydro-, hydrochloride (1:2))
![4H-Pyrazolo[3,4-d]pyrimidin-4-one,6-[[3-(dimethylamino)propyl]amino]-1,5-dihydro-, hydrochloride (1:2) structure](https://ossimg.kuujia.com/scimg/5500/5421-82-9x500.png)
5421-82-9 structure
Product Name:4H-Pyrazolo[3,4-d]pyrimidin-4-one,6-[[3-(dimethylamino)propyl]amino]-1,5-dihydro-, hydrochloride (1:2)
CAS No:5421-82-9
MF:C10H17ClN6O
MW:272.734579801559
CID:385517
PubChem ID:135421784
Update Time:2025-04-19
4H-Pyrazolo[3,4-d]pyrimidin-4-one,6-[[3-(dimethylamino)propyl]amino]-1,5-dihydro-, hydrochloride (1:2) Chemical and Physical Properties
Names and Identifiers
-
- 4H-Pyrazolo[3,4-d]pyrimidin-4-one,6-[[3-(dimethylamino)propyl]amino]-1,5-dihydro-, hydrochloride (1:2)
- 6-[3-(dimethylamino)propylamino]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one,hydrochloride
- NSC11609
- NSC-11609
- 6-{[3-(Dimethylamino)propyl]amino}-1,2-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one--hydrogen chloride (1/1)
- DTXSID40636423
- 5421-82-9
-
- Inchi： 1S/C10H16N6O.ClH/c1-16(2)5-3-4-11-10-13-8-7(6-12-15-8)9(17)14-10;/h6H,3-5H2,1-2H3,(H3,11,12,13,14,15,17);1H
- InChI Key： XNLDCEJEEGUSTI-UHFFFAOYSA-N
- SMILES： Cl.O=C1C2C=NNC=2N=C(N1)NCCCN(C)C
Computed Properties
- Exact Mass: 272.11500
- Monoisotopic Mass: 272.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 409
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 81.1A^2
Experimental Properties
- Density: 1.41
- Boiling Point: 372.2°Cat760mmHg
- Flash Point: 178.9°C
- Refractive Index: 1.684
- PSA: 89.70000
- LogP: 0.88480
4H-Pyrazolo[3,4-d]pyrimidin-4-one,6-[[3-(dimethylamino)propyl]amino]-1,5-dihydro-, hydrochloride (1:2) Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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