1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione

C9H8N2O4 — CID 52916692

IUPAC1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione
SMILESO=C1C=CCO[C@@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C9H8N2O4/c12-6-2-1-5-15-8(6)11-4-3-7(13)10-9(11)14/h1-4,8H,5H2,(H,10,13,14)/t8-/m0/s1
InChIKeyUXTHBMGNTVVSRG-QMMMGPOBSA-N
MW208.17 g/mol
LogP-0.81
Rot. Bonds1

About 1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione

1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione (PubChem CID 52916692) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione
PubChem CID52916692
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione
SMILESO=C1C=CCO[C@@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C9H8N2O4/c12-6-2-1-5-15-8(6)11-4-3-7(13)10-9(11)14/h1-4,8H,5H2,(H,10,13,14)/t8-/m0/s1
InChIKeyUXTHBMGNTVVSRG-QMMMGPOBSA-N
XLogP-0.81
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S,3S)-3-hydroxy-3,6-dihydro-2H-pyran-2-yl]pyrimidine-2,4-dione
CID 52916687
1-[(2R)-3-fluoro-4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 101194318
1-[(2R)-3-methyl-5-methylidene-2H-furan-2-yl]pyrimidine-2,4-dione
CID 135024421
1-[(2R,3R,4R)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 70871082
1-[(3aR,6S,7aS)-2,2-dimethyl-7-methylidene-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]pyrimidine-2,4-dione
CID 52915231
1-[(2R,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione
CID 15172860
1-[(1R,3R,4R,5R)-4-hydroxy-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione
CID 11806364
1-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]pyrimidine-2,4-dione
CID 57243350
1-[(2R)-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione
CID 22855921
1-[(3R,3aR,5R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]pyrimidine-2,4-dione
CID 5326138
1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidine-2,4-dione
CID 10354357
1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 144767264

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione (CID 52916692) is 1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione is O=C1C=CCO[C@@H]1n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione?
The InChIKey is UXTHBMGNTVVSRG-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H8N2O4/c12-6-2-1-5-15-8(6)11-4-3-7(13)10-9(11)14/h1-4,8H,5H2,(H,10,13,14)/t8-/m0/s1.
What are the key properties of 1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione?
1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione has a molecular weight of 208.17 g/mol, XLogP of -0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 52916692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).