1-[(E)-2-diethoxyphosphorylethenyl]-5-methylpyrimidine-2,4-dione

C11H17N2O5P — CID 5470771

IUPAC1-[(E)-2-diethoxyphosphorylethenyl]-5-methylpyrimidine-2,4-dione
SMILESCCOP(=O)(/C=C/n1cc(C)c(=O)[nH]c1=O)OCC
InChIInChI=1S/C11H17N2O5P/c1-4-17-19(16,18-5-2)7-6-13-8-9(3)10(14)12-11(13)15/h6-8H,4-5H2,1-3H3,(H,12,14,15)/b7-6+
InChIKeyUXLGYEMCEQNJGM-VOTSOKGWSA-N
MW288.24 g/mol
LogP1.54
Rot. Bonds6

About 1-[(E)-2-diethoxyphosphorylethenyl]-5-methylpyrimidine-2,4-dione

1-[(E)-2-diethoxyphosphorylethenyl]-5-methylpyrimidine-2,4-dione (PubChem CID 5470771) has the molecular formula C11H17N2O5P and a molecular weight of 288.24 g/mol. Its IUPAC name is 1-[(E)-2-diethoxyphosphorylethenyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-2-diethoxyphosphorylethenyl]-5-methylpyrimidine-2,4-dione
PubChem CID5470771
Molecular FormulaC11H17N2O5P
Molecular Weight288.24 g/mol
Exact Mass288.09
IUPAC Name1-[(E)-2-diethoxyphosphorylethenyl]-5-methylpyrimidine-2,4-dione
SMILESCCOP(=O)(/C=C/n1cc(C)c(=O)[nH]c1=O)OCC
InChIInChI=1S/C11H17N2O5P/c1-4-17-19(16,18-5-2)7-6-13-8-9(3)10(14)12-11(13)15/h6-8H,4-5H2,1-3H3,(H,12,14,15)/b7-6+
InChIKeyUXLGYEMCEQNJGM-VOTSOKGWSA-N
XLogP1.54
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-diethoxyphosphoryl-2-(hydroxymethyl)but-3-enyl]-5-methylpyrimidine-2,4-dione
CID 173363380
5-methyl-1-[(E)-pent-1-enyl]pyrimidine-2,4-dione
CID 11344568
1-[(Z)-4-dimethylphosphorylbut-1-enyl]-5-methylpyrimidine-2,4-dione
CID 91234454
1-[(2R,3S,5S)-5-[(E)-2-diethoxyphosphorylethenyl]-3-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 90371282
5-methyl-1-(3-oxobut-1-enyl)pyrimidine-2,4-dione
CID 54009463
1-[(Z,3S)-4-hydroxy-3-methoxybut-1-enyl]-5-methylpyrimidine-2,4-dione
CID 89429421
sodium bis[(Z)-2-(hydroxymethyl)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enyl] phosphate
CID 23681372
1-[4-diethoxyphosphoryl-2-(oxan-2-yloxymethyl)but-3-enoxy]-5-methylpyrimidine-2,4-dione
CID 54387676
N-[9-[(Z)-2-diethoxyphosphorylethenyl]-6-oxo-1H-purin-2-yl]acetamide
CID 135508811
1-[(E)-3-diethoxyphosphorylprop-2-enyl]pyrimidine-2,4-dione
CID 53325829
1-(4-diethoxyphosphoryl-2-methylhepta-2,3-dienyl)-5-methylpyrimidine-2,4-dione
CID 11337676
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-diethoxyphosphorylethenyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(E)-2-diethoxyphosphorylethenyl]-5-methylpyrimidine-2,4-dione (CID 5470771) is 1-[(E)-2-diethoxyphosphorylethenyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(E)-2-diethoxyphosphorylethenyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(E)-2-diethoxyphosphorylethenyl]-5-methylpyrimidine-2,4-dione is CCOP(=O)(/C=C/n1cc(C)c(=O)[nH]c1=O)OCC.
What is the InChIKey of 1-[(E)-2-diethoxyphosphorylethenyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is UXLGYEMCEQNJGM-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H17N2O5P/c1-4-17-19(16,18-5-2)7-6-13-8-9(3)10(14)12-11(13)15/h6-8H,4-5H2,1-3H3,(H,12,14,15)/b7-6+.
What are the key properties of 1-[(E)-2-diethoxyphosphorylethenyl]-5-methylpyrimidine-2,4-dione?
1-[(E)-2-diethoxyphosphorylethenyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 288.24 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-diethoxyphosphorylethenyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 5470771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).