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

C10H15FN2O5 — CID 123966199

IUPAC3-[4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-hydroxy-1,2-dihydropyrimidin-6-one
SMILESCC1(O)C(F)C(CO)OC1N1C=CC(=O)NC1O
InChIInChI=1S/C10H15FN2O5/c1-10(17)7(11)5(4-14)18-8(10)13-3-2-6(15)12-9(13)16/h2-3,5,7-9,14,16-17H,4H2,1H3,(H,12,15)
InChIKeyTVJYRRDHNPBVQF-UHFFFAOYSA-N
MW262.24 g/mol
LogP-1.99
Rot. Bonds2

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

3-[4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-hydroxy-1,2-dihydropyrimidin-6-one (PubChem CID 123966199) has the molecular formula C10H15FN2O5 and a molecular weight of 262.24 g/mol. Its IUPAC name is 3-[4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-hydroxy-1,2-dihydropyrimidin-6-one.

Molecular Properties

Compound Name3-[4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-hydroxy-1,2-dihydropyrimidin-6-one
PubChem CID123966199
Molecular FormulaC10H15FN2O5
Molecular Weight262.24 g/mol
Exact Mass262.10
IUPAC Name3-[4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-hydroxy-1,2-dihydropyrimidin-6-one
SMILESCC1(O)C(F)C(CO)OC1N1C=CC(=O)NC1O
InChIInChI=1S/C10H15FN2O5/c1-10(17)7(11)5(4-14)18-8(10)13-3-2-6(15)12-9(13)16/h2-3,5,7-9,14,16-17H,4H2,1H3,(H,12,15)
InChIKeyTVJYRRDHNPBVQF-UHFFFAOYSA-N
XLogP-1.99
TPSA102.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-fluoro-1-[(2R,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2-thione
CID 146972908
[[(2R,3S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 165157447
(2S,4S,5R)-4-fluoro-5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol
CID 122450268
(2S)-2-[[[(2R,3S,5R)-3,4-dihydroxy-5-(2-hydroxy-6-sulfanylidene-1,2-dihydropyrimidin-3-yl)-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl]amino]propanoic acid
CID 174003588
1-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 91153756
[(2R,5R)-3,4-dihydroxy-5-(2-hydroxy-6-oxo-1,2-dihydropyrimidin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 149285475
9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-imino-4,5-dihydro-3H-purin-6-one
CID 176536503
1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-(113C)methyloxolan-2-yl]pyrimidine-2,4-dione
CID 134258297
3-[(2S,4aR,6R,7R,7aR)-7-ethynyl-7-hydroxy-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-hydroxy-1,2-dihydropyrimidin-6-one
CID 146604217
3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-11-fluoro-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10,12-dione
CID 159336048
1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one
CID 25229672
1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one;(4R)-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one
CID 161319637

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-hydroxy-1,2-dihydropyrimidin-6-one?
The IUPAC name of 3-[4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-hydroxy-1,2-dihydropyrimidin-6-one (CID 123966199) is 3-[4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-hydroxy-1,2-dihydropyrimidin-6-one.
What is the SMILES notation for 3-[4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-hydroxy-1,2-dihydropyrimidin-6-one?
The canonical SMILES for 3-[4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-hydroxy-1,2-dihydropyrimidin-6-one is CC1(O)C(F)C(CO)OC1N1C=CC(=O)NC1O.
What is the InChIKey of 3-[4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-hydroxy-1,2-dihydropyrimidin-6-one?
The InChIKey is TVJYRRDHNPBVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O5/c1-10(17)7(11)5(4-14)18-8(10)13-3-2-6(15)12-9(13)16/h2-3,5,7-9,14,16-17H,4H2,1H3,(H,12,15).
What are the key properties of 3-[4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-hydroxy-1,2-dihydropyrimidin-6-one?
3-[4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-hydroxy-1,2-dihydropyrimidin-6-one has a molecular weight of 262.24 g/mol, XLogP of -1.99, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-hydroxy-1,2-dihydropyrimidin-6-one is sourced from PubChem (CID 123966199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).