Basic information
- CAS
4840-69-1- Standard SMILES
Cn1c(=O)[nH]cc(F)c1=O- InChIKey
BGXNFCXYRIAWDO-UHFFFAOYSA-N- Molecular formula
- C5H5FN2O2
- Average molar mass
- 144.1 g/mol
- Monoisotopic mass
- 144.03350557
Names & identifiers
- Preferred name
- 5-Fluoro-3-methylpyrimidine-2,4(1H,3H)-dione
- IUPAC
- 5-fluoro-3-methyl-1H-pyrimidine-2,4-dione
- English name
- 5-fluoro-3-methyl-1H-pyrimidine-2,4-dione
- Molecular formula
- C5H5FN2O2
- Molecular weight
- 144.1
Names & synonyms
4840-69-15-fluoro-3-methyl-1H-pyrimidine-2,4-dione5-Fluoro-3-methylpyrimidine-2,4(1H,3H)-dione3-Methyl-5-fluorouracil5-fluoro-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dioneNSC316061Fluorouracil Impurity 35-fluoro-3-methyluracilSCHEMBL9685966DTXSID40317467BGXNFCXYRIAWDO-UHFFFAOYSA-NAKOS006352515
Show more names
Fluorouracil-002Fluorouracil ImpurityFluorouracil Impurity 81-N-methyl-5-fluorouracil2,4(1H,3H)-Pyrimidinedione, 5-fluoro-3-methyl-5-fluoro-3-methyl-1H-pyrimidine-2,4-dione ISO 9001：2015 REACH
NSC-316061Q63392086
Database identifiers
- CAS
4840-69-1- PubChem CID
- 330104
- DTXSID
DTXSID40317467- Nikkaji
- J184.239K
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Melting point
- 194 °C · 194 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 9.32 · 9.32±0.10(Predicted)
Chemistry & industry
Suppliers28 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
Related reactions
2 records
Compound notes
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