5-fluoro-1-[(1S,2R)-2-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione

C9H11FN2O3 — CID 66739706

IUPAC5-fluoro-1-[(1S,2R)-2-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@H]2CC[C@H]2CO)cc1F
InChIInChI=1S/C9H11FN2O3/c10-6-3-12(9(15)11-8(6)14)7-2-1-5(7)4-13/h3,5,7,13H,1-2,4H2,(H,11,14,15)/t5-,7-/m0/s1
InChIKeyKEWYHWBMOIJZOX-FSPLSTOPSA-N
MW214.20 g/mol
LogP-0.38
Rot. Bonds2

About 5-fluoro-1-[(1S,2R)-2-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione

5-fluoro-1-[(1S,2R)-2-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione (PubChem CID 66739706) has the molecular formula C9H11FN2O3 and a molecular weight of 214.20 g/mol. Its IUPAC name is 5-fluoro-1-[(1S,2R)-2-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[(1S,2R)-2-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione
PubChem CID66739706
Molecular FormulaC9H11FN2O3
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC Name5-fluoro-1-[(1S,2R)-2-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@H]2CC[C@H]2CO)cc1F
InChIInChI=1S/C9H11FN2O3/c10-6-3-12(9(15)11-8(6)14)7-2-1-5(7)4-13/h3,5,7,13H,1-2,4H2,(H,11,14,15)/t5-,7-/m0/s1
InChIKeyKEWYHWBMOIJZOX-FSPLSTOPSA-N
XLogP-0.38
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(1S,2R)-2-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[(1S,2R)-2-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione (CID 66739706) is 5-fluoro-1-[(1S,2R)-2-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[(1S,2R)-2-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[(1S,2R)-2-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n([C@H]2CC[C@H]2CO)cc1F.
What is the InChIKey of 5-fluoro-1-[(1S,2R)-2-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione?
The InChIKey is KEWYHWBMOIJZOX-FSPLSTOPSA-N. The full InChI is InChI=1S/C9H11FN2O3/c10-6-3-12(9(15)11-8(6)14)7-2-1-5(7)4-13/h3,5,7,13H,1-2,4H2,(H,11,14,15)/t5-,7-/m0/s1.
What are the key properties of 5-fluoro-1-[(1S,2R)-2-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione?
5-fluoro-1-[(1S,2R)-2-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione has a molecular weight of 214.20 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(1S,2R)-2-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66739706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).