Cas no 21004-27-3 (Furo[2,3-d]pyrimidine-2,4(1H,3H)-dione,5,6-dihydro-3-methyl-)
![Furo[2,3-d]pyrimidine-2,4(1H,3H)-dione,5,6-dihydro-3-methyl- structure](https://ossimg.kuujia.com/scimg/21500/21004-27-3x500.png)
21004-27-3 structure
Product Name:Furo[2,3-d]pyrimidine-2,4(1H,3H)-dione,5,6-dihydro-3-methyl-
CAS No:21004-27-3
MF:C7H8N2O3
MW:168.15002155304
CID:291079
PubChem ID:270280
Update Time:2025-04-19
Furo[2,3-d]pyrimidine-2,4(1H,3H)-dione,5,6-dihydro-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Furo[2,3-d]pyrimidine-2,4(1H,3H)-dione,5,6-dihydro-3-methyl-
- 3-methyl-5,6-dihydro-1H-furo[2,3-d]pyrimidine-2,4-dione
- 2,4-Dioxo-3-methyl-1,2,3,4,5,6-hexahydro-furo< 2,3-d> pyrimidin
- 3-methyl-5,6-dihydrofuro[2,3-d]pyrimidine-2,4(1h,3h)-dione
- AC1L6O93
- AC1Q6M0O
- AG-K-80529
- AR-1F4325
- CTK4E5642
- NSC112548
- DTXSID40296905
- MLS002706451
- SMR001573857
- NSC-112548
- 21004-27-3
-
- Inchi： 1S/C7H8N2O3/c1-9-6(10)4-2-3-12-5(4)8-7(9)11/h2-3H2,1H3,(H,8,11)
- InChI Key： KXDKSDNTMQIDGB-UHFFFAOYSA-N
- SMILES： O1CCC2C(N(C)C(NC1=2)=O)=O
Computed Properties
- Exact Mass: 168.05354
- Monoisotopic Mass: 168.05349212g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 295
- 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: 58.6?2
Experimental Properties
- PSA: 58.64
- LogP: -0.99150
Furo[2,3-d]pyrimidine-2,4(1H,3H)-dione,5,6-dihydro-3-methyl- Related Literature
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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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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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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