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

C9H10N2O4 — CID 25189339

IUPAC1-[(2R,3R)-3-hydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione
SMILESC=C1C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C9H10N2O4/c1-5-4-6(12)8(15-5)11-3-2-7(13)10-9(11)14/h2-3,6,8,12H,1,4H2,(H,10,13,14)/t6-,8-/m1/s1
InChIKeyYIPIKITXIHMWLD-HTRCEHHLSA-N
MW210.19 g/mol
LogP-0.67
Rot. Bonds1

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

1-[(2R,3R)-3-hydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 25189339) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-[(2R,3R)-3-hydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R)-3-hydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione
PubChem CID25189339
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name1-[(2R,3R)-3-hydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione
SMILESC=C1C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C9H10N2O4/c1-5-4-6(12)8(15-5)11-3-2-7(13)10-9(11)14/h2-3,6,8,12H,1,4H2,(H,10,13,14)/t6-,8-/m1/s1
InChIKeyYIPIKITXIHMWLD-HTRCEHHLSA-N
XLogP-0.67
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;1-(3-ethynyl-5-methylideneoxolan-2-yl)pyrimidine-2,4-dione;methanol
CID 144654134
1-[(2R,3R,4R)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 70871082
1-[(2R)-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione
CID 22855921
1-[(2R,3R)-3-hydroxy-7-(hydroxymethyl)-2,3,4,5-tetrahydrooxepin-2-yl]pyrimidine-2,4-dione
CID 58940098
1-[(2S,3S)-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]pyrimidine-2,4-dione
CID 52916687
1-[(2S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 57120564
1-[(1R,3R,4R,5R)-4-hydroxy-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione
CID 11806364
(2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-carboxylic acid
CID 163397831
1-[(3aR,5R,6R,6aR)-3,6-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]pyrimidine-2,4-dione
CID 102450103
1-[(2R,3R,5S)-5-ethyl-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 135134474
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]pyrimidine-2,4-dione
CID 76973315
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6029

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-3-hydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3R)-3-hydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione (CID 25189339) is 1-[(2R,3R)-3-hydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R)-3-hydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3R)-3-hydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione is C=C1C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1.
What is the InChIKey of 1-[(2R,3R)-3-hydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is YIPIKITXIHMWLD-HTRCEHHLSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-5-4-6(12)8(15-5)11-3-2-7(13)10-9(11)14/h2-3,6,8,12H,1,4H2,(H,10,13,14)/t6-,8-/m1/s1.
What are the key properties of 1-[(2R,3R)-3-hydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,3R)-3-hydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 210.19 g/mol, XLogP of -0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R)-3-hydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 25189339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).