1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione

C11H14F2N2O3 — CID 170212829

IUPAC1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione
SMILESCC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](F)[C@@H]1C
InChIInChI=1S/C11H14F2N2O3/c1-3-7-5(2)8(13)10(18-7)15-4-6(12)9(16)14-11(15)17/h4-5,7-8,10H,3H2,1-2H3,(H,14,16,17)/t5-,7-,8+,10-/m1/s1
InChIKeyCOJJSIKNPMMIKU-PJGXCUNHSA-N
MW260.24 g/mol
LogP0.96
Rot. Bonds2

About 1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione

1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione (PubChem CID 170212829) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is 1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione
PubChem CID170212829
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Name1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione
SMILESCC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](F)[C@@H]1C
InChIInChI=1S/C11H14F2N2O3/c1-3-7-5(2)8(13)10(18-7)15-4-6(12)9(16)14-11(15)17/h4-5,7-8,10H,3H2,1-2H3,(H,14,16,17)/t5-,7-,8+,10-/m1/s1
InChIKeyCOJJSIKNPMMIKU-PJGXCUNHSA-N
XLogP0.96
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(2R,3R,4S,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 165061315
1-[(2R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro(213C,1,3-15N2)pyrimidine-2,4-dione
CID 71315472
1-[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 7059460
1-[5-(2-diethoxyphosphorylethyl)-3-fluoro-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 90687616
1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-5-methoxy-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 174114381
1-[(4R,6R,6aS)-2,2-diethyl-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-fluoropyrimidine-2,4-dione
CID 118444761
1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione
CID 142167597
2-aminoacetic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 67362589
[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 14530807
[(2S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3S)-2-amino-3-methylpentanoate
CID 57200726
[(2R,4S,5R)-2-ethyl-4-fluoro-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
CID 58287989
[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-ethyl-4-fluorooxolan-3-yl] acetate
CID 118262381

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione (CID 170212829) is 1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione is CC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](F)[C@@H]1C.
What is the InChIKey of 1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is COJJSIKNPMMIKU-PJGXCUNHSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-3-7-5(2)8(13)10(18-7)15-4-6(12)9(16)14-11(15)17/h4-5,7-8,10H,3H2,1-2H3,(H,14,16,17)/t5-,7-,8+,10-/m1/s1.
What are the key properties of 1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione?
1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 260.24 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 170212829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).