1-[(5R)-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione

C12H18N2O6 — CID 176809417

IUPAC1-[(5R)-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
SMILESCC[C@]1(CO)OC(n2cc(OC)c(=O)[nH]c2=O)CC1O
InChIInChI=1S/C12H18N2O6/c1-3-12(6-15)8(16)4-9(20-12)14-5-7(19-2)10(17)13-11(14)18/h5,8-9,15-16H,3-4,6H2,1-2H3,(H,13,17,18)/t8?,9?,12-/m1/s1
InChIKeyHUHKCUMPRCKSGY-SHVIVCPWSA-N
MW286.28 g/mol
LogP-1.03
Rot. Bonds4

About 1-[(5R)-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione

1-[(5R)-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione (PubChem CID 176809417) has the molecular formula C12H18N2O6 and a molecular weight of 286.28 g/mol. Its IUPAC name is 1-[(5R)-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(5R)-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
PubChem CID176809417
Molecular FormulaC12H18N2O6
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC Name1-[(5R)-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
SMILESCC[C@]1(CO)OC(n2cc(OC)c(=O)[nH]c2=O)CC1O
InChIInChI=1S/C12H18N2O6/c1-3-12(6-15)8(16)4-9(20-12)14-5-7(19-2)10(17)13-11(14)18/h5,8-9,15-16H,3-4,6H2,1-2H3,(H,13,17,18)/t8?,9?,12-/m1/s1
InChIKeyHUHKCUMPRCKSGY-SHVIVCPWSA-N
XLogP-1.03
TPSA113.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
CID 170173151
1-[3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-5-methoxypyrimidine-2,4-dione
CID 123410725
1-[(2R,4S,5S)-5-ethyl-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 170212957
1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10951948
N-[2-[(2R,3S,5R)-3-hydroxy-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl]acetamide
CID 101024829
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
CID 169201537
1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
CID 139418563
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-propanoyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15333772
N-[[(2R,3S,5R)-5-[2,4-dioxo-5-(prop-2-ynylamino)pyrimidin-1-yl]-3-hydroxy-2-(hydroxymethyl)oxolan-2-yl]methyl]acetamide
CID 23541122
[(2R,3S,5R)-2-(ethoxymethyl)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 102397517
1-[(2R,4S,5R)-5-acetyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15333771
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 101256369

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione?
The IUPAC name of 1-[(5R)-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione (CID 176809417) is 1-[(5R)-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione.
What is the SMILES notation for 1-[(5R)-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione?
The canonical SMILES for 1-[(5R)-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione is CC[C@]1(CO)OC(n2cc(OC)c(=O)[nH]c2=O)CC1O.
What is the InChIKey of 1-[(5R)-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione?
The InChIKey is HUHKCUMPRCKSGY-SHVIVCPWSA-N. The full InChI is InChI=1S/C12H18N2O6/c1-3-12(6-15)8(16)4-9(20-12)14-5-7(19-2)10(17)13-11(14)18/h5,8-9,15-16H,3-4,6H2,1-2H3,(H,13,17,18)/t8?,9?,12-/m1/s1.
What are the key properties of 1-[(5R)-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione?
1-[(5R)-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione has a molecular weight of 286.28 g/mol, XLogP of -1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-5-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione is sourced from PubChem (CID 176809417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).