3-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one

C10H15FN2O6 — CID 129152249

IUPAC3-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one
SMILESC[C@]1(O)[C@H](N2C=CC(O)NC2=O)O[C@](F)(CO)[C@H]1O
InChIInChI=1S/C10H15FN2O6/c1-9(18)6(16)10(11,4-14)19-7(9)13-3-2-5(15)12-8(13)17/h2-3,5-7,14-16,18H,4H2,1H3,(H,12,17)/t5?,6-,7+,9+,10+/m0/s1
InChIKeyYRZMKHARWRAOGO-XIVIHSRLSA-N
MW278.24 g/mol
LogP-2.03
Rot. Bonds2

About 3-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one

3-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one (PubChem CID 129152249) has the molecular formula C10H15FN2O6 and a molecular weight of 278.24 g/mol. Its IUPAC name is 3-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name3-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one
PubChem CID129152249
Molecular FormulaC10H15FN2O6
Molecular Weight278.24 g/mol
Exact Mass278.09
IUPAC Name3-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one
SMILESC[C@]1(O)[C@H](N2C=CC(O)NC2=O)O[C@](F)(CO)[C@H]1O
InChIInChI=1S/C10H15FN2O6/c1-9(18)6(16)10(11,4-14)19-7(9)13-3-2-5(15)12-8(13)17/h2-3,5-7,14-16,18H,4H2,1H3,(H,12,17)/t5?,6-,7+,9+,10+/m0/s1
InChIKeyYRZMKHARWRAOGO-XIVIHSRLSA-N
XLogP-2.03
TPSA122.49 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 5-2.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 3-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one with MolForge

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Related Compounds

[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-5-(6-hydroxy-2-oxo-1,6-dihydropyrimidin-3-yl)-4-methyloxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate
CID 134255762
1-[5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one
CID 123624126
3-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one
CID 162572960
6-amino-3-[(2R,3R,4S,5R)-5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1,6-dihydropyrimidin-2-one
CID 118012836
1-[5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dithione
CID 123927092
6-hydroxy-3-[(4S,6R)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-1,6-dihydropyrimidin-2-one
CID 163525585
5-bromo-1-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one
CID 90251454
carbon dioxide;3-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-[[methyl-(propan-2-ylamino)phosphoryl]oxymethyl]oxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one
CID 160727475
1-[3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-methylpyrimidine-2,4-dione
CID 123579227
1-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one
CID 90251384
ethyl 2-(6-hydroxy-2-oxo-1,6-dihydropyrimidin-3-yl)acetate
CID 155378640
[2,2-dimethylpropanoyloxymethoxy-[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(6-hydroxy-2-oxo-1,6-dihydropyrimidin-3-yl)-2-methyloxolan-2-yl]methoxy]phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 122698141

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one?
The IUPAC name of 3-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one (CID 129152249) is 3-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for 3-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one?
The canonical SMILES for 3-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one is C[C@]1(O)[C@H](N2C=CC(O)NC2=O)O[C@](F)(CO)[C@H]1O.
What is the InChIKey of 3-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one?
The InChIKey is YRZMKHARWRAOGO-XIVIHSRLSA-N. The full InChI is InChI=1S/C10H15FN2O6/c1-9(18)6(16)10(11,4-14)19-7(9)13-3-2-5(15)12-8(13)17/h2-3,5-7,14-16,18H,4H2,1H3,(H,12,17)/t5?,6-,7+,9+,10+/m0/s1.
What are the key properties of 3-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one?
3-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one has a molecular weight of 278.24 g/mol, XLogP of -2.03, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6-hydroxy-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 129152249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).