Cas no 4840-69-1 (5-Fluoro-3-methyl-1H-pyrimidine-2,4-dione)
4840-69-1 structure
Product Name:5-Fluoro-3-methyl-1H-pyrimidine-2,4-dione
CAS No:4840-69-1
MF:C5H5FN2O2
MW:144.103804349899
CID:45359
PubChem ID:330104
Update Time:2025-04-18
5-Fluoro-3-methyl-1H-pyrimidine-2,4-dione Chemical and Physical Properties
Names and Identifiers
-
- 5-Fluoro-3-methyl-1H-pyrimidine-2,4-dione
- 2-METHOXY-5-FLUOROURACIL
- 3-Methyl-5-fluoruracil
- 5-fluoro-3-methyluracil
- NSC316061
- BGXNFCXYRIAWDO-UHFFFAOYSA-N
- NSC-316061
- Q63392086
- AKOS006352515
- 3-Methyl-5-fluorouracil
- SCHEMBL9685966
- 5-Fluoro-3-methylpyrimidine-2,4(1H,3H)-dione
- FT-0692728
- DTXSID40317467
- 4840-69-1
- 5-fluoro-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
-
- Inchi: 1S/C5H5FN2O2/c1-8-4(9)3(6)2-7-5(8)10/h2H,1H3,(H,7,10)
- InChI Key: BGXNFCXYRIAWDO-UHFFFAOYSA-N
- SMILES: FC1=CNC(N(C)C1=O)=O
Computed Properties
- Exact Mass: 144.03400
- Monoisotopic Mass: 144.034
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 224
- 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
- Surface Charge: 0
- Tautomer Count: 4
- XLogP3: nothing
- Topological Polar Surface Area: 49.4?2
Experimental Properties
- Density: 1.44
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.526
- PSA: 54.86000
- LogP: -0.78730
5-Fluoro-3-methyl-1H-pyrimidine-2,4-dione Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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