1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione

C10H12N2O6 — CID 144647512

IUPAC1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione
SMILESCOC1C(O)=C(CO)O[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H12N2O6/c1-17-8-7(15)5(4-13)18-9(8)12-3-2-6(14)11-10(12)16/h2-3,8-9,13,15H,4H2,1H3,(H,11,14,16)/t8?,9-/m1/s1
InChIKeyLULAPPZAJLNBES-YGPZHTELSA-N
MW256.21 g/mol
LogP-1.16
Rot. Bonds3

About 1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione

1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione (PubChem CID 144647512) has the molecular formula C10H12N2O6 and a molecular weight of 256.21 g/mol. Its IUPAC name is 1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione
PubChem CID144647512
Molecular FormulaC10H12N2O6
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Name1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione
SMILESCOC1C(O)=C(CO)O[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H12N2O6/c1-17-8-7(15)5(4-13)18-9(8)12-3-2-6(14)11-10(12)16/h2-3,8-9,13,15H,4H2,1H3,(H,11,14,16)/t8?,9-/m1/s1
InChIKeyLULAPPZAJLNBES-YGPZHTELSA-N
XLogP-1.16
TPSA113.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-fluoro-5-(hydroxymethyl)-2,3-dihydrofuran-4-yl] dihydrogen phosphate
CID 656946
1-[(2R,3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 15333745
4-amino-1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]-5-methylpyrimidin-2-one
CID 144647523
1-[(2S,4R)-2-(hydroxymethyl)-5-methoxy-3-oxabicyclo[4.1.0]heptan-4-yl]pyrimidine-2,4-dione
CID 174002533
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 162263889
1-[(2R,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 70658640
1-[(2S,4R,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 173465356
1-[(2R)-3,4-dihydroxy-5-[[hydroxy(oxido)phosphinothioyl]oxymethyl]-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 144726560
1-[(2S,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 173465347
1-[(2S,5S)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57303965
1-[(2R,5R)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70956068
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 68666642

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione (CID 144647512) is 1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione is COC1C(O)=C(CO)O[C@H]1n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione?
The InChIKey is LULAPPZAJLNBES-YGPZHTELSA-N. The full InChI is InChI=1S/C10H12N2O6/c1-17-8-7(15)5(4-13)18-9(8)12-3-2-6(14)11-10(12)16/h2-3,8-9,13,15H,4H2,1H3,(H,11,14,16)/t8?,9-/m1/s1.
What are the key properties of 1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione?
1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione has a molecular weight of 256.21 g/mol, XLogP of -1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 144647512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).