2,4(1H,3H)-Pyrimidinedione, 1-(3-fluoro-4-(hydroxymethyl)-1-pyrrolidinyl)-5-methyl-, trans-
Basic information
- CAS
145828-68-8- Standard SMILES
Cc1cn(N2C[C@H](CO)[C@@H](F)C2)c(=O)[nH]c1=O- InChIKey
YSGKKVVPWXTYNO-SFYZADRCSA-N- Molecular formula
- C10H14FN3O3
- Average molar mass
- 243.23 g/mol
- Monoisotopic mass
- 243.10191948
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 1-(3-fluoro-4-(hydroxymethyl)-1-pyrrolidinyl)-5-methyl-, trans-
- IUPAC
- 1-[(3R,4R)-3-fluoro-4-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidine-2,4-dione
Names & synonyms
145828-68-81-(3-Fluoro-5-hydroxymethylpyrrolidin)thymine2,4(1H,3H)-Pyrimidinedione, 1-(3-fluoro-4-(hydroxymethyl)-1-pyrrolidinyl)-5-methyl-, trans-2,4(1H,3H)-Pyrimidinedione, 1-[3-fluoro-4-(hydroxymethyl)-1-pyrrolidinyl]-5-methyl-, trans-DTXSID809326981-(3-Fluoro-5-hydroxymethyl-pyrrolidin)-thymine1-[(1R,3R,4R)-3-fluoro-4-(hydroxymethyl)pyrrolidin-1-yl]-5-methyl-pyrimidine-2,4-dione1-[3-Fluoro-4-(hydroxymethyl)pyrrolidin-1-yl]-4-hydroxy-5-methylpyrimidin-2(1H)-one1-[(3R,4R)-3-Fluoro-4-(hydroxymethyl)pyrrolidin-1-yl]-4-hydroxy-5-methylpyrimidin-2(1H)-one
Database identifiers
- CAS
145828-68-8- PubChem CID
- 453372
- DTXSID
DTXSID80932698
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 385
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…