Cas no 23000-37-5 (Pyrimido[5,4-d]pyrimidine-2,4,8(3H)-trione,1,7-dihydro-)
![Pyrimido[5,4-d]pyrimidine-2,4,8(3H)-trione,1,7-dihydro- structure](https://ossimg.kuujia.com/scimg/23500/23000-37-5x500.png)
23000-37-5 structure
Product Name:Pyrimido[5,4-d]pyrimidine-2,4,8(3H)-trione,1,7-dihydro-
CAS No:23000-37-5
MF:C6H4N4O3
MW:180.120960235596
CID:275904
PubChem ID:135400779
Update Time:2025-04-19
Pyrimido[5,4-d]pyrimidine-2,4,8(3H)-trione,1,7-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimido[5,4-d]pyrimidine-2,4,8(3H)-trione,1,7-dihydro-
- 1,5-dihydropyrimido[5,4-d]pyrimidine-4,6,8-trione
- 1,7-Dihydro-pyrimido[5,4-d]pyrimidin-2,4,8-trion
- 1,7-dihydro-pyrimido[5,4-d]pyrimidine-2,4,8-trione
- 2,4,8(1H,3H,7H)pyrimido< 5,4-d> pyrimidinetrione
- 2,4,8-Trihydroxy-pyrimido< 5.4-d> pyrimidin
- 2,4,8-Trioxo-hexahydro-pyrimido< 5,4-d> pyrimidin
- AC1L6X08
- AC1Q79BT
- NSC515724
- pyrimido[5,4-d][1,3]diazine-2,4,8-triol
- SureCN2121947
- NSC-515724
- SCHEMBL2121947
- DTXSID20325681
- 23000-37-5
-
- Inchi： 1S/C6H4N4O3/c11-4-3-2(7-1-8-4)5(12)10-6(13)9-3/h1H,(H,7,8,11)(H2,9,10,12,13)
- InChI Key： ROZIEFCJIDEZFF-UHFFFAOYSA-N
- SMILES： O=C1C2=C(C(NC=N2)=O)NC(N1)=O
Computed Properties
- Exact Mass: 180.02842
- Monoisotopic Mass: 180.02834000g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 381
- 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: -1.8
- Topological Polar Surface Area: 99.7?2
Experimental Properties
- PSA: 99.66
- LogP: -1.70030
Pyrimido[5,4-d]pyrimidine-2,4,8(3H)-trione,1,7-dihydro- Related Literature
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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