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

C9H10N2O5 — CID 169242921

IUPAC3-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1[C@H]1CC(O)=C(CO)O1
InChIInChI=1S/C9H10N2O5/c12-4-6-5(13)3-8(16-6)11-7(14)1-2-10-9(11)15/h1-2,8,12-13H,3-4H2,(H,10,15)/t8-/m1/s1
InChIKeyPDHXBOZEANICQF-MRVPVSSYSA-N
MW226.19 g/mol
LogP-0.78
Rot. Bonds2

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

3-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 169242921) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is 3-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID169242921
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Name3-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1[C@H]1CC(O)=C(CO)O1
InChIInChI=1S/C9H10N2O5/c12-4-6-5(13)3-8(16-6)11-7(14)1-2-10-9(11)15/h1-2,8,12-13H,3-4H2,(H,10,15)/t8-/m1/s1
InChIKeyPDHXBOZEANICQF-MRVPVSSYSA-N
XLogP-0.78
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-(hydroxymethyl)-1,4-dioxan-2-yl]-1H-pyrimidine-2,4-dione
CID 57346157
5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 163529144
3-(oxolan-2-yl)-1H-pyrimidine-2,4-dione
CID 12502126
3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 131876298
3-[(2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 177125435
3-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 177077743
3-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 174181793
5-ethyl-1-[(2R)-4-hydroxy-5-(methoxymethyl)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 163478362
3-[(3R,5R)-2-benzyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl]-1H-pyrimidine-2,4-dione
CID 134937707
3-[(2R,3S,5S)-3-hydroxy-5-[[[hydroxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl]oxymethyl]oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 170585198
3-[(2R,3S,5R)-4-tert-butyl-5-(2,2-dimethylpropyl)-3-methoxyoxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 176863812
[(3R,6S)-4-benzoyloxy-6-(2,4-dioxo-1H-pyrimidin-3-yl)-1-fluoro-2-oxabicyclo[3.1.0]hexan-3-yl]methyl benzoate
CID 174151197

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-1H-pyrimidine-2,4-dione (CID 169242921) is 3-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-1H-pyrimidine-2,4-dione is O=c1cc[nH]c(=O)n1[C@H]1CC(O)=C(CO)O1.
What is the InChIKey of 3-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is PDHXBOZEANICQF-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10N2O5/c12-4-6-5(13)3-8(16-6)11-7(14)1-2-10-9(11)15/h1-2,8,12-13H,3-4H2,(H,10,15)/t8-/m1/s1.
What are the key properties of 3-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-1H-pyrimidine-2,4-dione?
3-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 226.19 g/mol, XLogP of -0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 169242921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).