1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione

C9H13FN2O4 — CID 155149316

IUPAC1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
SMILESC[C@@H](O[C@H](CO)CF)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C9H13FN2O4/c1-6(16-7(4-10)5-13)12-3-2-8(14)11-9(12)15/h2-3,6-7,13H,4-5H2,1H3,(H,11,14,15)/t6-,7+/m1/s1
InChIKeyZEDWCVDOJNFRRG-RQJHMYQMSA-N
MW232.21 g/mol
LogP-0.60
Rot. Bonds5

About 1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione

1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione (PubChem CID 155149316) has the molecular formula C9H13FN2O4 and a molecular weight of 232.21 g/mol. Its IUPAC name is 1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
PubChem CID155149316
Molecular FormulaC9H13FN2O4
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC Name1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
SMILESC[C@@H](O[C@H](CO)CF)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C9H13FN2O4/c1-6(16-7(4-10)5-13)12-3-2-8(14)11-9(12)15/h2-3,6-7,13H,4-5H2,1H3,(H,11,14,15)/t6-,7+/m1/s1
InChIKeyZEDWCVDOJNFRRG-RQJHMYQMSA-N
XLogP-0.60
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[1-(1-hydroxy-5-sulfanylpentan-2-yl)oxyethyl]pyrimidine-2,4-dione
CID 142535865
1-[1-(1-hydroxypent-4-yn-2-yloxy)ethyl]pyrimidine-2,4-dione
CID 144582240
1-[2-hydroxy-1-[(2R)-1-hydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 160757174
1-[1-[(3S)-1-hydroxy-2-methoxypentan-3-yl]oxyethyl]pyrimidine-2,4-dione
CID 173465401
ethane;1-[1-(6-sulfanylhexan-3-yloxy)ethyl]pyrimidine-2,4-dione
CID 156889949
1-[(1R)-1-[(2S)-1-methoxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 174092745
1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione
CID 71083212
1-[(1R)-1-[(2R,3R)-4-fluoro-3-hydroxy-1-phosphorosooxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 134595189
1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione
CID 6991759
CID 144985274
CID 144985274
[(3R)-3-acetyloxy-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)ethoxy]-4-fluoro-2-(fluoromethyl)butyl] acetate
CID 134251432
1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione
CID 123506257

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione (CID 155149316) is 1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione is C[C@@H](O[C@H](CO)CF)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione?
The InChIKey is ZEDWCVDOJNFRRG-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H13FN2O4/c1-6(16-7(4-10)5-13)12-3-2-8(14)11-9(12)15/h2-3,6-7,13H,4-5H2,1H3,(H,11,14,15)/t6-,7+/m1/s1.
What are the key properties of 1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione?
1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione has a molecular weight of 232.21 g/mol, XLogP of -0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 155149316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).