5-fluoro-1-[(3R)-3-hydroxy-5-methyloxolan-2-yl]-4-methylpyrimidin-2-one

C10H13FN2O3 — CID 143394756

IUPAC5-fluoro-1-[(3R)-3-hydroxy-5-methyloxolan-2-yl]-4-methylpyrimidin-2-one
SMILESCc1nc(=O)n(C2OC(C)C[C@H]2O)cc1F
InChIInChI=1S/C10H13FN2O3/c1-5-3-8(14)9(16-5)13-4-7(11)6(2)12-10(13)15/h4-5,8-9,14H,3H2,1-2H3/t5?,8-,9?/m1/s1
InChIKeyDSSYDLDXWXYYLP-BFBHXSMHSA-N
MW228.22 g/mol
LogP0.36
Rot. Bonds1

About 5-fluoro-1-[(3R)-3-hydroxy-5-methyloxolan-2-yl]-4-methylpyrimidin-2-one

5-fluoro-1-[(3R)-3-hydroxy-5-methyloxolan-2-yl]-4-methylpyrimidin-2-one (PubChem CID 143394756) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is 5-fluoro-1-[(3R)-3-hydroxy-5-methyloxolan-2-yl]-4-methylpyrimidin-2-one.

Molecular Properties

Compound Name5-fluoro-1-[(3R)-3-hydroxy-5-methyloxolan-2-yl]-4-methylpyrimidin-2-one
PubChem CID143394756
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name5-fluoro-1-[(3R)-3-hydroxy-5-methyloxolan-2-yl]-4-methylpyrimidin-2-one
SMILESCc1nc(=O)n(C2OC(C)C[C@H]2O)cc1F
InChIInChI=1S/C10H13FN2O3/c1-5-3-8(14)9(16-5)13-4-7(11)6(2)12-10(13)15/h4-5,8-9,14H,3H2,1-2H3/t5?,8-,9?/m1/s1
InChIKeyDSSYDLDXWXYYLP-BFBHXSMHSA-N
XLogP0.36
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one
CID 58434485
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidin-2-one
CID 157197209
1-[(2S,5R)-4-azido-5-ethyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one
CID 90904264
1-[(2S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4,5-dimethylpyrimidin-2-one
CID 59875116
[(2R,4R,5R)-4-acetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate
CID 58434493
4-amino-5-fluoro-1-[(2R,4S,5R)-2-(hydroxymethyl)-5-methyl-1,3-dioxolan-4-yl]pyrimidin-2-one
CID 11776614
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-methylidenepyrimidin-2-one;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one;methyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
CID 159785095
methyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
CID 163729768
1-[(3aR,6aS)-3-hydroxy-3a-methyl-4-oxo-2,3,6,6a-tetrahydrofuro[2,3-c]furan-2-yl]-4-amino-5-fluoropyrimidin-2-one
CID 58226952
4-amino-5-fluoro-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one
CID 67450466
4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]-5-iodopyrimidin-2-one
CID 515102
4-amino-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-propan-2-ylpyrimidin-2-one
CID 67459995

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(3R)-3-hydroxy-5-methyloxolan-2-yl]-4-methylpyrimidin-2-one?
The IUPAC name of 5-fluoro-1-[(3R)-3-hydroxy-5-methyloxolan-2-yl]-4-methylpyrimidin-2-one (CID 143394756) is 5-fluoro-1-[(3R)-3-hydroxy-5-methyloxolan-2-yl]-4-methylpyrimidin-2-one.
What is the SMILES notation for 5-fluoro-1-[(3R)-3-hydroxy-5-methyloxolan-2-yl]-4-methylpyrimidin-2-one?
The canonical SMILES for 5-fluoro-1-[(3R)-3-hydroxy-5-methyloxolan-2-yl]-4-methylpyrimidin-2-one is Cc1nc(=O)n(C2OC(C)C[C@H]2O)cc1F.
What is the InChIKey of 5-fluoro-1-[(3R)-3-hydroxy-5-methyloxolan-2-yl]-4-methylpyrimidin-2-one?
The InChIKey is DSSYDLDXWXYYLP-BFBHXSMHSA-N. The full InChI is InChI=1S/C10H13FN2O3/c1-5-3-8(14)9(16-5)13-4-7(11)6(2)12-10(13)15/h4-5,8-9,14H,3H2,1-2H3/t5?,8-,9?/m1/s1.
What are the key properties of 5-fluoro-1-[(3R)-3-hydroxy-5-methyloxolan-2-yl]-4-methylpyrimidin-2-one?
5-fluoro-1-[(3R)-3-hydroxy-5-methyloxolan-2-yl]-4-methylpyrimidin-2-one has a molecular weight of 228.22 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(3R)-3-hydroxy-5-methyloxolan-2-yl]-4-methylpyrimidin-2-one is sourced from PubChem (CID 143394756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).