1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione

C9H11FN2O4 — CID 57259416

IUPAC1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
SMILESC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](F)[C@@H]1O
InChIInChI=1S/C9H11FN2O4/c1-4-7(14)6(10)8(16-4)12-3-2-5(13)11-9(12)15/h2-4,6-8,14H,1H3,(H,11,13,15)/t4-,6-,7-,8-/m1/s1
InChIKeyXKBSNQZIXJSHIG-XVFCMESISA-N
MW230.20 g/mol
LogP-0.85
Rot. Bonds1

About 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 57259416) has the molecular formula C9H11FN2O4 and a molecular weight of 230.20 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
PubChem CID57259416
Molecular FormulaC9H11FN2O4
Molecular Weight230.20 g/mol
Exact Mass230.07
IUPAC Name1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
SMILESC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](F)[C@@H]1O
InChIInChI=1S/C9H11FN2O4/c1-4-7(14)6(10)8(16-4)12-3-2-5(13)11-9(12)15/h2-4,6-8,14H,1H3,(H,11,13,15)/t4-,6-,7-,8-/m1/s1
InChIKeyXKBSNQZIXJSHIG-XVFCMESISA-N
XLogP-0.85
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(2S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 57120564
1-[(2R)-5-ethyl-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 177248429
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid
CID 68506781
1-[(2R,3R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118944111
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 3007908
5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolane-2-carbaldehyde
CID 123909297
1-[(2R,5R)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70956068
1-[(2S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 69009867
1-[(2R,4S,5R)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70953345
1-[(2R,3R,4R,5R)-5-(1,1-dideuterioethyl)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 164998419
1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 163625739
1-[(2R,4S,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 159487979

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione (CID 57259416) is 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione is C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](F)[C@@H]1O.
What is the InChIKey of 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is XKBSNQZIXJSHIG-XVFCMESISA-N. The full InChI is InChI=1S/C9H11FN2O4/c1-4-7(14)6(10)8(16-4)12-3-2-5(13)11-9(12)15/h2-4,6-8,14H,1H3,(H,11,13,15)/t4-,6-,7-,8-/m1/s1.
What are the key properties of 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 230.20 g/mol, XLogP of -0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 57259416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).