3-fluoro-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

C9H11FN2O4 — CID 56977811

IUPAC3-fluoro-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1F
InChIInChI=1S/C9H11FN2O4/c10-12-7(14)3-4-11(9(12)15)8-2-1-6(5-13)16-8/h3-4,6,8,13H,1-2,5H2/t6-,8+/m0/s1
InChIKeyPRMCHAWQYBZAIC-POYBYMJQSA-N
MW230.19 g/mol
LogP-0.59
Rot. Bonds2

About 3-fluoro-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

3-fluoro-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 56977811) has the molecular formula C9H11FN2O4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 3-fluoro-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-fluoro-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID56977811
Molecular FormulaC9H11FN2O4
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name3-fluoro-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1F
InChIInChI=1S/C9H11FN2O4/c10-12-7(14)3-4-11(9(12)15)8-2-1-6(5-13)16-8/h3-4,6,8,13H,1-2,5H2/t6-,8+/m0/s1
InChIKeyPRMCHAWQYBZAIC-POYBYMJQSA-N
XLogP-0.59
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082525
2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]isoquinolin-1-one
CID 163685112
3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6-imino-2-oxopyrimidine-1-sulfonic acid
CID 150962114
4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 142192944
4-(dimethylamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 169201542
ethane;1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;propane-2,2-diol
CID 163227427
4-ethynoxy-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;fluoromethane
CID 167445812
chloromethane;ethane;4-(hydroxyamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 169252416
N-[1-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 678698
[5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
CID 144929572
3-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
CID 91560968
3-[(4-fluorophenyl)methyl]-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 71088808

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 3-fluoro-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 56977811) is 3-fluoro-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-fluoro-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 3-fluoro-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is O=c1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1F.
What is the InChIKey of 3-fluoro-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is PRMCHAWQYBZAIC-POYBYMJQSA-N. The full InChI is InChI=1S/C9H11FN2O4/c10-12-7(14)3-4-11(9(12)15)8-2-1-6(5-13)16-8/h3-4,6,8,13H,1-2,5H2/t6-,8+/m0/s1.
What are the key properties of 3-fluoro-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
3-fluoro-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 230.19 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 56977811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).