Cas no 22917-75-5 (2,4(1H,3H)-Pyrimidinedione,1,1'-(1,3-propanediyl)bis[5-methyl-)
22917-75-5 structure
Product Name:2,4(1H,3H)-Pyrimidinedione,1,1'-(1,3-propanediyl)bis[5-methyl-
CAS No:22917-75-5
MF:C13H16N4O4
MW:292.290542602539
CID:276833
PubChem ID:89902
Update Time:2025-04-19
2,4(1H,3H)-Pyrimidinedione,1,1'-(1,3-propanediyl)bis[5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Trimethylenebis(thymine)
- 1,1'-Propane-1,3-diylbis(5-methylpyrimidine-2,4(1H,3H)-dione)
- 5-methyl-1-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione
- 2,4(1H,3H)-Pyrimidinedione, 1,1'-(1,3-propanediyl)bis[5-methyl-
- DTXSID20945601
- 1,1'-(Propane-1,3-diyl)bis(4-hydroxy-5-methylpyrimidin-2(1H)-one)
- Thymine, 1,1'-trimethylenedi-
- 1,1'-(1,3-Propanediyl)dithymine
- CHEMBL2337545
- 1,1'-Trimethylene-Bis(Thymine)
- 2,4(1H,3H)-Pyrimidinedione, 1,1'-(1,3-propanediyl)bis*5-methyl-
- BMRBWWWZFYXCDX-UHFFFAOYSA-N
- 22917-75-5
- 2,4(1H,3H)-Pyrimidinedione, 1,1'-(1,3-propanediyl)bis(5-methyl-
- SCHEMBL15110503
- 2,4(1H,3H)-Pyrimidinedione,1,1'-(1,3-propanediyl)bis[5-methyl-
-
- Inchi： 1S/C13H16N4O4/c1-8-6-16(12(20)14-10(8)18)4-3-5-17-7-9(2)11(19)15-13(17)21/h6-7H,3-5H2,1-2H3,(H,14,18,20)(H,15,19,21)
- InChI Key： BMRBWWWZFYXCDX-UHFFFAOYSA-N
- SMILES： O=C1NC(C(C)=CN1CCCN1C(NC(C(C)=C1)=O)=O)=O
Computed Properties
- Exact Mass: 292.11728
- Monoisotopic Mass: 292.11715500g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 529
- 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: 98.8?2
Experimental Properties
- PSA: 98.82
2,4(1H,3H)-Pyrimidinedione,1,1'-(1,3-propanediyl)bis[5-methyl- Related Literature
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Vanessa dos Santos Pereira Montera,Camila Aparecida Borges Food Funct., 2021,12, 7699-7708
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
22917-75-5 (2,4(1H,3H)-Pyrimidinedione,1,1'-(1,3-propanediyl)bis[5-methyl-) Related Products
- 4160-77-4(2,4(1H,3H)-Pyrimidinedione,3,5-dimethyl-)
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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