[2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]-3-methoxypropoxy]-methylphosphinic acid

C11H19N2O7P — CID 146549589

IUPAC[2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]-3-methoxypropoxy]-methylphosphinic acid
SMILESCOCC(COP(C)(=O)O)OCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H19N2O7P/c1-18-7-9(8-20-21(2,16)17)19-6-5-13-4-3-10(14)12-11(13)15/h3-4,9H,5-8H2,1-2H3,(H,16,17)(H,12,14,15)
InChIKeyFKVIBGANZRMWCB-UHFFFAOYSA-N
MW322.25 g/mol
LogP-0.60
Rot. Bonds9

About [2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]-3-methoxypropoxy]-methylphosphinic acid

[2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]-3-methoxypropoxy]-methylphosphinic acid (PubChem CID 146549589) has the molecular formula C11H19N2O7P and a molecular weight of 322.25 g/mol. Its IUPAC name is [2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]-3-methoxypropoxy]-methylphosphinic acid.

Molecular Properties

Compound Name[2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]-3-methoxypropoxy]-methylphosphinic acid
PubChem CID146549589
Molecular FormulaC11H19N2O7P
Molecular Weight322.25 g/mol
Exact Mass322.09
IUPAC Name[2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]-3-methoxypropoxy]-methylphosphinic acid
SMILESCOCC(COP(C)(=O)O)OCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H19N2O7P/c1-18-7-9(8-20-21(2,16)17)19-6-5-13-4-3-10(14)12-11(13)15/h3-4,9H,5-8H2,1-2H3,(H,16,17)(H,12,14,15)
InChIKeyFKVIBGANZRMWCB-UHFFFAOYSA-N
XLogP-0.60
TPSA119.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxopyrimidin-1-yl)ethyl acetate
CID 2058214
1-[(1R)-1-[(2S)-1-[hydroxy(2-hydroxyethyl)phosphinothioyl]oxy-3-methoxypropan-2-yl]oxy-2-methoxyethyl]pyrimidine-2,4-dione
CID 170179484
1-(5-hydroxyhexyl)pyrimidine-2,4-dione
CID 23287951
1-[1-(2-hydroxyethoxy)-2-methoxyethyl]pyrimidine-2,4-dione
CID 167508864
[4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] 2-methoxyacetate
CID 172580838
5-(2,4-dioxopyrimidin-1-yl)pentyl-[5-(2,4-dioxopyrimidin-1-yl)pentyl-hydroxyphosphoryl]oxyphosphinic acid
CID 91326769
2-(2,4-dioxopyrimidin-1-yl)ethoxymethyl-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid
CID 25243235
[(3R,4S)-3-[(2,4-dioxopyrimidin-1-yl)methoxy]-4-hydroxypentyl]phosphonic acid
CID 10638490
[(2S)-1-(2,4-dioxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinic acid
CID 71555228
2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799452
[(2S)-2-acetyloxy-4-(2,4-dioxopyrimidin-1-yl)butyl] acetate
CID 70894812
1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione
CID 131057862

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]-3-methoxypropoxy]-methylphosphinic acid?
The IUPAC name of [2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]-3-methoxypropoxy]-methylphosphinic acid (CID 146549589) is [2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]-3-methoxypropoxy]-methylphosphinic acid.
What is the SMILES notation for [2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]-3-methoxypropoxy]-methylphosphinic acid?
The canonical SMILES for [2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]-3-methoxypropoxy]-methylphosphinic acid is COCC(COP(C)(=O)O)OCCn1ccc(=O)[nH]c1=O.
What is the InChIKey of [2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]-3-methoxypropoxy]-methylphosphinic acid?
The InChIKey is FKVIBGANZRMWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N2O7P/c1-18-7-9(8-20-21(2,16)17)19-6-5-13-4-3-10(14)12-11(13)15/h3-4,9H,5-8H2,1-2H3,(H,16,17)(H,12,14,15).
What are the key properties of [2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]-3-methoxypropoxy]-methylphosphinic acid?
[2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]-3-methoxypropoxy]-methylphosphinic acid has a molecular weight of 322.25 g/mol, XLogP of -0.60, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]-3-methoxypropoxy]-methylphosphinic acid is sourced from PubChem (CID 146549589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).