1-[(2S,3S)-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]pyrimidine-2,4-dione

C9H10N2O4 — CID 52916687

IUPAC1-[(2S,3S)-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@H]2OCC=C[C@@H]2O)c(=O)[nH]1
InChIInChI=1S/C9H10N2O4/c12-6-2-1-5-15-8(6)11-4-3-7(13)10-9(11)14/h1-4,6,8,12H,5H2,(H,10,13,14)/t6-,8-/m0/s1
InChIKeyFPGRVTICVOQFQL-XPUUQOCRSA-N
MW210.19 g/mol
LogP-1.02
Rot. Bonds1

About 1-[(2S,3S)-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]pyrimidine-2,4-dione

1-[(2S,3S)-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]pyrimidine-2,4-dione (PubChem CID 52916687) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-[(2S,3S)-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2S,3S)-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]pyrimidine-2,4-dione
PubChem CID52916687
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name1-[(2S,3S)-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@H]2OCC=C[C@@H]2O)c(=O)[nH]1
InChIInChI=1S/C9H10N2O4/c12-6-2-1-5-15-8(6)11-4-3-7(13)10-9(11)14/h1-4,6,8,12H,5H2,(H,10,13,14)/t6-,8-/m0/s1
InChIKeyFPGRVTICVOQFQL-XPUUQOCRSA-N
XLogP-1.02
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 ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(2R,3R,4R)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 70871082
1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione
CID 52916692
1-[(1R,3R,4R,5R)-4-hydroxy-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione
CID 11806364
1-[(2R,3R)-3-hydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione
CID 25189339
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,3S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4)pyrimidine-2,4-dione
CID 171037880
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6029
1-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 638039
1-[(2R,3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 15333745
1-[(2S,4R,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 173465356
1-[(2R,5R)-5-ethyl-3-hydroxy-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 70658640
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

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2S,3S)-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]pyrimidine-2,4-dione (CID 52916687) is 1-[(2S,3S)-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2S,3S)-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2S,3S)-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]pyrimidine-2,4-dione is O=c1ccn([C@H]2OCC=C[C@@H]2O)c(=O)[nH]1.
What is the InChIKey of 1-[(2S,3S)-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]pyrimidine-2,4-dione?
The InChIKey is FPGRVTICVOQFQL-XPUUQOCRSA-N. The full InChI is InChI=1S/C9H10N2O4/c12-6-2-1-5-15-8(6)11-4-3-7(13)10-9(11)14/h1-4,6,8,12H,5H2,(H,10,13,14)/t6-,8-/m0/s1.
What are the key properties of 1-[(2S,3S)-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]pyrimidine-2,4-dione?
1-[(2S,3S)-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]pyrimidine-2,4-dione has a molecular weight of 210.19 g/mol, XLogP of -1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 52916687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).