Basic information
- CAS
145828-66-6- Standard SMILES
Cc1cn(N2C[C@H](CO)[C@@H](O)C2)c(=O)[nH]c1=O- InChIKey
YMUQKZLGXINIHX-SFYZADRCSA-N- Molecular formula
- C10H15N3O4
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.10625597
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 1-(3-hydroxy-4-(hydroxymethyl)-1-pyrrolidinyl)-5-methyl-, trans-
- IUPAC
- 1-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidine-2,4-dione
Names & synonyms
145828-66-61-(3-Hydroxy-5-hydroxymethyl-pyrrolidin)-thymine2,4(1H,3H)-Pyrimidinedione, 1-(3-hydroxy-4-(hydroxymethyl)-1-pyrrolidinyl)-5-methyl-, trans-2,4(1H,3H)-Pyrimidinedione, 1-[3-hydroxy-4-(hydroxymethyl)-1-pyrrolidinyl]-5-methyl-, trans-DTXSID801631671-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]-5-methyl-pyrimidine-2,4-dione1-[(3R,4R)-3-Hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
145828-66-6- PubChem CID
- 453370
- DTXSID
DTXSID80163167
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…