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

C9H9FN2O4 — CID 101194318

IUPAC1-[(2R)-3-fluoro-4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@@H]2OCC(CO)=C2F)c(=O)[nH]1
InChIInChI=1S/C9H9FN2O4/c10-7-5(3-13)4-16-8(7)12-2-1-6(14)11-9(12)15/h1-2,8,13H,3-4H2,(H,11,14,15)/t8-/m1/s1
InChIKeyHUAXXDMOYLPWOV-MRVPVSSYSA-N
MW228.18 g/mol
LogP-0.72
Rot. Bonds2

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

1-[(2R)-3-fluoro-4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione (PubChem CID 101194318) has the molecular formula C9H9FN2O4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 1-[(2R)-3-fluoro-4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R)-3-fluoro-4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
PubChem CID101194318
Molecular FormulaC9H9FN2O4
Molecular Weight228.18 g/mol
Exact Mass228.05
IUPAC Name1-[(2R)-3-fluoro-4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@@H]2OCC(CO)=C2F)c(=O)[nH]1
InChIInChI=1S/C9H9FN2O4/c10-7-5(3-13)4-16-8(7)12-2-1-6(14)11-9(12)15/h1-2,8,13H,3-4H2,(H,11,14,15)/t8-/m1/s1
InChIKeyHUAXXDMOYLPWOV-MRVPVSSYSA-N
XLogP-0.72
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 14578322
1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidine-2,4-dione
CID 10354357
1-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]pyrimidine-2,4-dione
CID 57243350
1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione
CID 52916692
1-[(2R,4S)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70294441
1-[4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 18783254
1-[(2R,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione
CID 15172860
1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione
CID 5278750
1-[(2R,3R,4R)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 70871082
1-[(2R,3Z,4S,5R)-3-(fluoromethylidene)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 10038116
1-[(4R,6R)-2,2-difluoro-7-hydroxy-6-(hydroxymethyl)-5-oxaspiro[2.4]heptan-4-yl]pyrimidine-2,4-dione
CID 162571960
1-[(1S,3R)-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione
CID 67875653

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-fluoro-4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R)-3-fluoro-4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione (CID 101194318) is 1-[(2R)-3-fluoro-4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R)-3-fluoro-4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R)-3-fluoro-4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione is O=c1ccn([C@@H]2OCC(CO)=C2F)c(=O)[nH]1.
What is the InChIKey of 1-[(2R)-3-fluoro-4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione?
The InChIKey is HUAXXDMOYLPWOV-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9FN2O4/c10-7-5(3-13)4-16-8(7)12-2-1-6(14)11-9(12)15/h1-2,8,13H,3-4H2,(H,11,14,15)/t8-/m1/s1.
What are the key properties of 1-[(2R)-3-fluoro-4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione?
1-[(2R)-3-fluoro-4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione has a molecular weight of 228.18 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-fluoro-4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 101194318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).