Cas no 20666-60-8 (2,4(1H,3H)-Pyrimidinedione-1,3-d2)
20666-60-8 structure
Product Name:2,4(1H,3H)-Pyrimidinedione-1,3-d2
CAS No:20666-60-8
MF:C4H4N2O2
MW:114.099083900452
CID:241391
PubChem ID:23278348
Update Time:2025-04-19
2,4(1H,3H)-Pyrimidinedione-1,3-d2 Chemical and Physical Properties
Names and Identifiers
-
- 2,4(1H,3H)-Pyrimidinedione-1,3-d2
- URACIL-1,3-D2
- 1,3-didecyl-cyclohexane
- 1,3-didehydro-2,4,6-trifluoro-5-iodobenzene
- 1,3-dideuterio-1H-pyrimidine-2,4-dione
- 1,3-Di-n-decylcyclohexane
- AC1L5KTL
- AC1Q28R4
- AR-1B6890
- Cyclohexane, 1,3-didecyl-
- Cyclohexane,3-didecyl-
- KST-1B5571
- NSC125397
- D98948
- 1,3-Dideuteriopyrimidine-2,4-dione
- HY-I0960S6
- 20666-60-8
- Uracil-d2-1
- 1,3-dideuterouracil
- CS-0564592
-
- Inchi： 1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)/i/hD2
- InChI Key： ISAKRJDGNUQOIC-ZSJDYOACSA-N
- SMILES： O=C1N([2H])C=CC(N1[2H])=O
Computed Properties
- Exact Mass: 114.039830867g/mol
- Monoisotopic Mass: 114.039830867g/mol
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 161
- 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: -1.1
- Topological Polar Surface Area: 58.2?2
2,4(1H,3H)-Pyrimidinedione-1,3-d2 Related Literature
-
Michael Schneider,Christof Schon,Ingo Fischer,Luis Rubio-Lago,Theofanis Kitsopoulos Phys. Chem. Chem. Phys. 2007 9 6021
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