1-[(2R,4S,5R)-4-hydroxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C18H18N2O5 — CID 11046124

IUPAC1-[(2R,4S,5R)-4-hydroxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](/C=C/C(=O)c3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C18H18N2O5/c1-11-10-20(18(24)19-17(11)23)16-9-14(22)15(25-16)8-7-13(21)12-5-3-2-4-6-12/h2-8,10,14-16,22H,9H2,1H3,(H,19,23,24)/b8-7+/t14-,15+,16+/m0/s1
InChIKeyMAHYIUZUFGDLQE-UUWJMPJDSA-N
MW342.35 g/mol
LogP0.93
Rot. Bonds4

About 1-[(2R,4S,5R)-4-hydroxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,4S,5R)-4-hydroxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 11046124) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-4-hydroxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5R)-4-hydroxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID11046124
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name1-[(2R,4S,5R)-4-hydroxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@H](O)[C@@H](/C=C/C(=O)c3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C18H18N2O5/c1-11-10-20(18(24)19-17(11)23)16-9-14(22)15(25-16)8-7-13(21)12-5-3-2-4-6-12/h2-8,10,14-16,22H,9H2,1H3,(H,19,23,24)/b8-7+/t14-,15+,16+/m0/s1
InChIKeyMAHYIUZUFGDLQE-UUWJMPJDSA-N
XLogP0.93
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[(2R,4S,5R)-4-hydroxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]oxolan-2-yl]-5-methylpyrimidine-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

methyl (2S)-2-[[(E)-3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]prop-2-enoyl]amino]-3-phenylpropanoate
CID 51360169
1-[(2R,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 1277936
[(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate
CID 57137294
(2S,3S,5R)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde
CID 170212817
1-[(1S,3R)-6-hydroxy-2-oxabicyclo[3.1.0]hexan-3-yl]-5-methylpyrimidine-2,4-dione
CID 139505571
3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2-iodoprop-2-enenitrile
CID 507025
1-[(2R,4S,5S)-5-benzoyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15333774
[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
CID 10882581
1-[(2R,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(E)-2-dimethylphosphorylethenyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R,5R)-5-[(E)-2-dimethylphosphorylethenyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;oxolane
CID 159169498
1-[(2R,4S,5R)-4-hydroxy-5-(phenylselanyloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 22862774
1-[(2R,4S,5S)-5-[(1,3-diphenylimidazolidin-2-yl)-hydroxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 159720661
1-[(2R,4S,5S)-5-[dimethoxy(tritylsulfanyl)methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 54365233

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-4-hydroxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5R)-4-hydroxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 11046124) is 1-[(2R,4S,5R)-4-hydroxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5R)-4-hydroxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5R)-4-hydroxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H]2C[C@H](O)[C@@H](/C=C/C(=O)c3ccccc3)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,4S,5R)-4-hydroxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is MAHYIUZUFGDLQE-UUWJMPJDSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-11-10-20(18(24)19-17(11)23)16-9-14(22)15(25-16)8-7-13(21)12-5-3-2-4-6-12/h2-8,10,14-16,22H,9H2,1H3,(H,19,23,24)/b8-7+/t14-,15+,16+/m0/s1.
What are the key properties of 1-[(2R,4S,5R)-4-hydroxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,4S,5R)-4-hydroxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 342.35 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5R)-4-hydroxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 11046124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).