(3R,4R,5R)-3-fluoro-2-pyrimidin-2-yloxane-3,4,5-triol

C9H11FN2O4 — CID 22847474

IUPAC(3R,4R,5R)-3-fluoro-2-pyrimidin-2-yloxane-3,4,5-triol
SMILESO[C@@H]1COC(c2ncccn2)[C@](O)(F)[C@@H]1O
InChIInChI=1S/C9H11FN2O4/c10-9(15)6(14)5(13)4-16-7(9)8-11-2-1-3-12-8/h1-3,5-7,13-15H,4H2/t5-,6-,7?,9+/m1/s1
InChIKeyMGIFHMUZNXDVSA-AGGUXCKUSA-N
MW230.20 g/mol
LogP-1.07
Rot. Bonds1

About (3R,4R,5R)-3-fluoro-2-pyrimidin-2-yloxane-3,4,5-triol

(3R,4R,5R)-3-fluoro-2-pyrimidin-2-yloxane-3,4,5-triol (PubChem CID 22847474) has the molecular formula C9H11FN2O4 and a molecular weight of 230.20 g/mol. Its IUPAC name is (3R,4R,5R)-3-fluoro-2-pyrimidin-2-yloxane-3,4,5-triol.

Molecular Properties

Compound Name(3R,4R,5R)-3-fluoro-2-pyrimidin-2-yloxane-3,4,5-triol
PubChem CID22847474
Molecular FormulaC9H11FN2O4
Molecular Weight230.20 g/mol
Exact Mass230.07
IUPAC Name(3R,4R,5R)-3-fluoro-2-pyrimidin-2-yloxane-3,4,5-triol
SMILESO[C@@H]1COC(c2ncccn2)[C@](O)(F)[C@@H]1O
InChIInChI=1S/C9H11FN2O4/c10-9(15)6(14)5(13)4-16-7(9)8-11-2-1-3-12-8/h1-3,5-7,13-15H,4H2/t5-,6-,7?,9+/m1/s1
InChIKeyMGIFHMUZNXDVSA-AGGUXCKUSA-N
XLogP-1.07
TPSA95.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3R,4R,5R)-3-fluoro-2-pyrimidin-2-yloxane-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol
CID 167408642
Fluoroarabinosyl pyrimidine
CID 129673579
(2S,3S,4R,5R)-5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)oxolan-3-ol
CID 28961615
Pyrimidine nucleoside
CID 439920
Arabinofuranosylpyrimidine
CID 22847475
Arabinosyl-pyrimidine
CID 22847476
Ribosylpyrimidine
CID 54505868
(2R,3S,4S,5S)-2-(hydroxymethyl)-5-pyrimidin-2-yloxolane-3,4-diol
CID 56608672
Desoxyribofuranosyl pyrimidine
CID 68556894
(3S,4S,5R)-2-(4-fluoropyrimidin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 53635748
(3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-2-pyrimidin-2-yloxolane-3,4-diol
CID 54488130
(2R,3R,4R)-4-fluoro-2-(hydroxymethyl)-5-pyrimidin-2-yloxolan-3-ol
CID 67309226

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-3-fluoro-2-pyrimidin-2-yloxane-3,4,5-triol?
The IUPAC name of (3R,4R,5R)-3-fluoro-2-pyrimidin-2-yloxane-3,4,5-triol (CID 22847474) is (3R,4R,5R)-3-fluoro-2-pyrimidin-2-yloxane-3,4,5-triol.
What is the SMILES notation for (3R,4R,5R)-3-fluoro-2-pyrimidin-2-yloxane-3,4,5-triol?
The canonical SMILES for (3R,4R,5R)-3-fluoro-2-pyrimidin-2-yloxane-3,4,5-triol is O[C@@H]1COC(c2ncccn2)[C@](O)(F)[C@@H]1O.
What is the InChIKey of (3R,4R,5R)-3-fluoro-2-pyrimidin-2-yloxane-3,4,5-triol?
The InChIKey is MGIFHMUZNXDVSA-AGGUXCKUSA-N. The full InChI is InChI=1S/C9H11FN2O4/c10-9(15)6(14)5(13)4-16-7(9)8-11-2-1-3-12-8/h1-3,5-7,13-15H,4H2/t5-,6-,7?,9+/m1/s1.
What are the key properties of (3R,4R,5R)-3-fluoro-2-pyrimidin-2-yloxane-3,4,5-triol?
(3R,4R,5R)-3-fluoro-2-pyrimidin-2-yloxane-3,4,5-triol has a molecular weight of 230.20 g/mol, XLogP of -1.07, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-3-fluoro-2-pyrimidin-2-yloxane-3,4,5-triol is sourced from PubChem (CID 22847474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).