1-[3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-methylpyrimidine-2,4-dione

C11H14F2N2O5 — CID 123579227

IUPAC1-[3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)ccn(C2OC(F)(CO)C(O)C2(C)F)c1=O
InChIInChI=1S/C11H14F2N2O5/c1-10(12)7(18)11(13,5-16)20-8(10)15-4-3-6(17)14(2)9(15)19/h3-4,7-8,16,18H,5H2,1-2H3
InChIKeyUVWSZLVONLCKIC-UHFFFAOYSA-N
MW292.24 g/mol
LogP-1.18
Rot. Bonds2

About 1-[3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-methylpyrimidine-2,4-dione

1-[3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-methylpyrimidine-2,4-dione (PubChem CID 123579227) has the molecular formula C11H14F2N2O5 and a molecular weight of 292.24 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-methylpyrimidine-2,4-dione
PubChem CID123579227
Molecular FormulaC11H14F2N2O5
Molecular Weight292.24 g/mol
Exact Mass292.09
IUPAC Name1-[3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)ccn(C2OC(F)(CO)C(O)C2(C)F)c1=O
InChIInChI=1S/C11H14F2N2O5/c1-10(12)7(18)11(13,5-16)20-8(10)15-4-3-6(17)14(2)9(15)19/h3-4,7-8,16,18H,5H2,1-2H3
InChIKeyUVWSZLVONLCKIC-UHFFFAOYSA-N
XLogP-1.18
TPSA93.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2R,3R,4S,5S)-5-ethyl-3,5-difluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 163602182
1-[(2R,3R,4R,5R)-3-fluoro-5-(fluoromethyl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 118012832
1-[5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dithione
CID 123927092
5-bromo-1-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one
CID 90251454
1-[(2R,3R,4R,5R)-5-azido-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 56959461
4-amino-1-[(3R,4S,5S)-3-azido-5-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 90254326
1-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-prop-2-enyloxolan-2-yl]pyrimidine-2,4-dione
CID 126723758
1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-3-methylpyrimidine-2,4-dione
CID 174181276
[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate
CID 137453953
1-[(2R,3S,4S,5R)-3-ethynyl-3,5-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 90251544
[3-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]methyl propanoate
CID 177261225
1-[(3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118233305

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-methylpyrimidine-2,4-dione (CID 123579227) is 1-[3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-methylpyrimidine-2,4-dione is Cn1c(=O)ccn(C2OC(F)(CO)C(O)C2(C)F)c1=O.
What is the InChIKey of 1-[3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-methylpyrimidine-2,4-dione?
The InChIKey is UVWSZLVONLCKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O5/c1-10(12)7(18)11(13,5-16)20-8(10)15-4-3-6(17)14(2)9(15)19/h3-4,7-8,16,18H,5H2,1-2H3.
What are the key properties of 1-[3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-methylpyrimidine-2,4-dione?
1-[3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-methylpyrimidine-2,4-dione has a molecular weight of 292.24 g/mol, XLogP of -1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 123579227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).