1-[(2S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4,5-dimethylpyrimidin-2-one

C11H15FN2O3 — CID 59875116

IUPAC1-[(2S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4,5-dimethylpyrimidin-2-one
SMILESCc1cn([C@H]2O[C@H](CO)CC2F)c(=O)nc1C
InChIInChI=1S/C11H15FN2O3/c1-6-4-14(11(16)13-7(6)2)10-9(12)3-8(5-15)17-10/h4,8-10,15H,3,5H2,1-2H3/t8-,9?,10-/m0/s1
InChIKeyPVYZBSPJQJLBPZ-SMILAEQMSA-N
MW242.25 g/mol
LogP0.48
Rot. Bonds2

About 1-[(2S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4,5-dimethylpyrimidin-2-one

1-[(2S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4,5-dimethylpyrimidin-2-one (PubChem CID 59875116) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is 1-[(2S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4,5-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[(2S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4,5-dimethylpyrimidin-2-one
PubChem CID59875116
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Name1-[(2S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4,5-dimethylpyrimidin-2-one
SMILESCc1cn([C@H]2O[C@H](CO)CC2F)c(=O)nc1C
InChIInChI=1S/C11H15FN2O3/c1-6-4-14(11(16)13-7(6)2)10-9(12)3-8(5-15)17-10/h4,8-10,15H,3,5H2,1-2H3/t8-,9?,10-/m0/s1
InChIKeyPVYZBSPJQJLBPZ-SMILAEQMSA-N
XLogP0.48
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-1-[(2R,3R,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 57270689
1-[(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one
CID 142053306
chloromethane;1-[(3S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 169190487
1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)-5-methylpyrimidin-2-one
CID 5274089
1-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-methylpyrimidin-2-one
CID 123150382
ethane;1-[(2R,3S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinan-2-one;methanol
CID 143794831
4-amino-1-[5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]-5-methylpyrimidin-2-one
CID 155454878
4-amino-1-[(6S)-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidin-2-one
CID 171505178
4-amino-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-propan-2-ylpyrimidin-2-one
CID 67459995
[(2S,4S,5R)-5-(2,4-diaminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-2-yl]methanol
CID 5271786
5-ethynyl-1-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 178033563
[(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 57008167

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4,5-dimethylpyrimidin-2-one?
The IUPAC name of 1-[(2S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4,5-dimethylpyrimidin-2-one (CID 59875116) is 1-[(2S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4,5-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[(2S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4,5-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[(2S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4,5-dimethylpyrimidin-2-one is Cc1cn([C@H]2O[C@H](CO)CC2F)c(=O)nc1C.
What is the InChIKey of 1-[(2S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4,5-dimethylpyrimidin-2-one?
The InChIKey is PVYZBSPJQJLBPZ-SMILAEQMSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-6-4-14(11(16)13-7(6)2)10-9(12)3-8(5-15)17-10/h4,8-10,15H,3,5H2,1-2H3/t8-,9?,10-/m0/s1.
What are the key properties of 1-[(2S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4,5-dimethylpyrimidin-2-one?
1-[(2S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4,5-dimethylpyrimidin-2-one has a molecular weight of 242.25 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4,5-dimethylpyrimidin-2-one is sourced from PubChem (CID 59875116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).