1-[(2R,4S,5R)-5-cyclopropyl-5-ethyl-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione

C14H19FN2O3 — CID 170213260

IUPAC1-[(2R,4S,5R)-5-cyclopropyl-5-ethyl-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione
SMILESCC[C@@]1(C2CC2)O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1C
InChIInChI=1S/C14H19FN2O3/c1-3-14(9-4-5-9)8(2)6-11(20-14)17-7-10(15)12(18)16-13(17)19/h7-9,11H,3-6H2,1-2H3,(H,16,18,19)/t8-,11+,14+/m0/s1
InChIKeyZKOIFCKWSVONLN-OLXJLDBKSA-N
MW282.31 g/mol
LogP1.79
Rot. Bonds3

About 1-[(2R,4S,5R)-5-cyclopropyl-5-ethyl-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione

1-[(2R,4S,5R)-5-cyclopropyl-5-ethyl-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione (PubChem CID 170213260) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-5-cyclopropyl-5-ethyl-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5R)-5-cyclopropyl-5-ethyl-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione
PubChem CID170213260
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name1-[(2R,4S,5R)-5-cyclopropyl-5-ethyl-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione
SMILESCC[C@@]1(C2CC2)O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1C
InChIInChI=1S/C14H19FN2O3/c1-3-14(9-4-5-9)8(2)6-11(20-14)17-7-10(15)12(18)16-13(17)19/h7-9,11H,3-6H2,1-2H3,(H,16,18,19)/t8-,11+,14+/m0/s1
InChIKeyZKOIFCKWSVONLN-OLXJLDBKSA-N
XLogP1.79
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2R,4S,5R)-5-cyclopropyl-5-ethyl-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(2R,4S,5S)-5-ethyl-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 170212957
1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione
CID 142167597
5-fluoro-1-(oxolan-2-yl)(213C,1,3-15N2)pyrimidine-2,4-dione
CID 71434333
1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-5-methoxy-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 174114381
1-[(4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 176809485
1-[(1S,3S,5S)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]-5-fluoropyrimidine-2,4-dione
CID 10799340
actinium;1-[(2R,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 59968642
1-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-cyclopropyl-3-fluorooxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 174115555
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 174150744
5-fluoro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 14541189
5-fluoro-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 139053601
5-fluoro-1-[(2R,5R)-4-hydroxy-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione
CID 162705739

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-5-cyclopropyl-5-ethyl-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5R)-5-cyclopropyl-5-ethyl-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione (CID 170213260) is 1-[(2R,4S,5R)-5-cyclopropyl-5-ethyl-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5R)-5-cyclopropyl-5-ethyl-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5R)-5-cyclopropyl-5-ethyl-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione is CC[C@@]1(C2CC2)O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1C.
What is the InChIKey of 1-[(2R,4S,5R)-5-cyclopropyl-5-ethyl-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is ZKOIFCKWSVONLN-OLXJLDBKSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-3-14(9-4-5-9)8(2)6-11(20-14)17-7-10(15)12(18)16-13(17)19/h7-9,11H,3-6H2,1-2H3,(H,16,18,19)/t8-,11+,14+/m0/s1.
What are the key properties of 1-[(2R,4S,5R)-5-cyclopropyl-5-ethyl-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione?
1-[(2R,4S,5R)-5-cyclopropyl-5-ethyl-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 282.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5R)-5-cyclopropyl-5-ethyl-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 170213260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).