1-[6-[(E)-2-dimethylphosphorylethenyl]morpholin-2-yl]pyrimidine-2,4-dione

C12H18N3O4P — CID 157385494

IUPAC1-[6-[(E)-2-dimethylphosphorylethenyl]morpholin-2-yl]pyrimidine-2,4-dione
SMILESCP(C)(=O)/C=C/C1CNCC(n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C12H18N3O4P/c1-20(2,18)6-4-9-7-13-8-11(19-9)15-5-3-10(16)14-12(15)17/h3-6,9,11,13H,7-8H2,1-2H3,(H,14,16,17)/b6-4+
InChIKeyOIXQZZFOEVJYCV-GQCTYLIASA-N
MW299.27 g/mol
LogP0.16
Rot. Bonds3

About 1-[6-[(E)-2-dimethylphosphorylethenyl]morpholin-2-yl]pyrimidine-2,4-dione

1-[6-[(E)-2-dimethylphosphorylethenyl]morpholin-2-yl]pyrimidine-2,4-dione (PubChem CID 157385494) has the molecular formula C12H18N3O4P and a molecular weight of 299.27 g/mol. Its IUPAC name is 1-[6-[(E)-2-dimethylphosphorylethenyl]morpholin-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[6-[(E)-2-dimethylphosphorylethenyl]morpholin-2-yl]pyrimidine-2,4-dione
PubChem CID157385494
Molecular FormulaC12H18N3O4P
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name1-[6-[(E)-2-dimethylphosphorylethenyl]morpholin-2-yl]pyrimidine-2,4-dione
SMILESCP(C)(=O)/C=C/C1CNCC(n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C12H18N3O4P/c1-20(2,18)6-4-9-7-13-8-11(19-9)15-5-3-10(16)14-12(15)17/h3-6,9,11,13H,7-8H2,1-2H3,(H,14,16,17)/b6-4+
InChIKeyOIXQZZFOEVJYCV-GQCTYLIASA-N
XLogP0.16
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[7-[(E)-2-dimethoxyphosphanylethenyl]-1,4-oxazepan-2-yl]pyrimidine-2,4-dione
CID 142619500
5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol
CID 169252397
[(E)-2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethenyl]-hydroxy-dimethoxyphosphanium
CID 142554941
(2S,5S)-5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
CID 23268762
1-[(2R,6R)-4-[dimethylamino-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy]phosphoryl]-6-[(E)-2-dimethylphosphorylethenyl]morpholin-2-yl]pyrimidine-2,4-dione
CID 167616518
1-[(2R)-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione
CID 22855921
5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;ethane;2-methoxy-2-methylpropane;propane-2,2-diol
CID 156804182
1-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70953347
1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082525
2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]acetaldehyde;methoxymethane
CID 178082508
1-[(2R,5S)-5-(chloromethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 23261037
1-[5-(methylaminomethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 170586971

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(E)-2-dimethylphosphorylethenyl]morpholin-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[6-[(E)-2-dimethylphosphorylethenyl]morpholin-2-yl]pyrimidine-2,4-dione (CID 157385494) is 1-[6-[(E)-2-dimethylphosphorylethenyl]morpholin-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[6-[(E)-2-dimethylphosphorylethenyl]morpholin-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[6-[(E)-2-dimethylphosphorylethenyl]morpholin-2-yl]pyrimidine-2,4-dione is CP(C)(=O)/C=C/C1CNCC(n2ccc(=O)[nH]c2=O)O1.
What is the InChIKey of 1-[6-[(E)-2-dimethylphosphorylethenyl]morpholin-2-yl]pyrimidine-2,4-dione?
The InChIKey is OIXQZZFOEVJYCV-GQCTYLIASA-N. The full InChI is InChI=1S/C12H18N3O4P/c1-20(2,18)6-4-9-7-13-8-11(19-9)15-5-3-10(16)14-12(15)17/h3-6,9,11,13H,7-8H2,1-2H3,(H,14,16,17)/b6-4+.
What are the key properties of 1-[6-[(E)-2-dimethylphosphorylethenyl]morpholin-2-yl]pyrimidine-2,4-dione?
1-[6-[(E)-2-dimethylphosphorylethenyl]morpholin-2-yl]pyrimidine-2,4-dione has a molecular weight of 299.27 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(E)-2-dimethylphosphorylethenyl]morpholin-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 157385494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).