1-[4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

C9H11FN2O4 — CID 18783254

IUPAC1-[4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn(C2CC(F)(CO)CO2)c(=O)[nH]1
InChIInChI=1S/C9H11FN2O4/c10-9(4-13)3-7(16-5-9)12-2-1-6(14)11-8(12)15/h1-2,7,13H,3-5H2,(H,11,14,15)
InChIKeyYUFIYNZWUKMCQR-UHFFFAOYSA-N
MW230.19 g/mol
LogP-0.84
Rot. Bonds2

About 1-[4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

1-[4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 18783254) has the molecular formula C9H11FN2O4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 1-[4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID18783254
Molecular FormulaC9H11FN2O4
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name1-[4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn(C2CC(F)(CO)CO2)c(=O)[nH]1
InChIInChI=1S/C9H11FN2O4/c10-9(4-13)3-7(16-5-9)12-2-1-6(14)11-8(12)15/h1-2,7,13H,3-5H2,(H,11,14,15)
InChIKeyYUFIYNZWUKMCQR-UHFFFAOYSA-N
XLogP-0.84
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R,4S)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70294441
1-[(2R,4R)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 10105161
4-amino-1-[(2R,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 101384097
1-[(2S,5S)-4,4-difluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 509512
1-[(1S,3R)-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione
CID 67875653
1-[5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 19775087
1-[(1R,2S,3S,4S)-4-fluoro-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
CID 153342155
1-[(2R,5R)-5-fluoro-5-(hydroxymethyl)-3,3-dimethyloxolan-2-yl]pyrimidine-2,4-dione
CID 155149149
1-[3,3-difluoro-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 123360524
1-[(2R,3R,5R)-5-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 137381041
1-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]pyrimidine-2,4-dione
CID 57243350
1-[(2R,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione
CID 15172860

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 18783254) is 1-[4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is O=c1ccn(C2CC(F)(CO)CO2)c(=O)[nH]1.
What is the InChIKey of 1-[4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is YUFIYNZWUKMCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O4/c10-9(4-13)3-7(16-5-9)12-2-1-6(14)11-8(12)15/h1-2,7,13H,3-5H2,(H,11,14,15).
What are the key properties of 1-[4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
1-[4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 230.19 g/mol, XLogP of -0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 18783254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).