[5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-yl]oxymethylphosphonic acid

C10H11N2O7P — CID 143334289

IUPAC[5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-yl]oxymethylphosphonic acid
SMILESCc1cn(-c2ccc(OCP(=O)(O)O)o2)c(=O)[nH]c1=O
InChIInChI=1S/C10H11N2O7P/c1-6-4-12(10(14)11-9(6)13)7-2-3-8(19-7)18-5-20(15,16)17/h2-4H,5H2,1H3,(H,11,13,14)(H2,15,16,17)
InChIKeyHLMITVMFSORCKA-UHFFFAOYSA-N
MW302.18 g/mol
LogP-0.06
Rot. Bonds4

About [5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-yl]oxymethylphosphonic acid

[5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-yl]oxymethylphosphonic acid (PubChem CID 143334289) has the molecular formula C10H11N2O7P and a molecular weight of 302.18 g/mol. Its IUPAC name is [5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-yl]oxymethylphosphonic acid.

Molecular Properties

Compound Name[5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-yl]oxymethylphosphonic acid
PubChem CID143334289
Molecular FormulaC10H11N2O7P
Molecular Weight302.18 g/mol
Exact Mass302.03
IUPAC Name[5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-yl]oxymethylphosphonic acid
SMILESCc1cn(-c2ccc(OCP(=O)(O)O)o2)c(=O)[nH]c1=O
InChIInChI=1S/C10H11N2O7P/c1-6-4-12(10(14)11-9(6)13)7-2-3-8(19-7)18-5-20(15,16)17/h2-4H,5H2,1H3,(H,11,13,14)(H2,15,16,17)
InChIKeyHLMITVMFSORCKA-UHFFFAOYSA-N
XLogP-0.06
TPSA134.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid
CID 23628543
[2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]aziridin-1-yl]methylphosphonic acid
CID 501412
5-methyl-1-pyridin-2-ylpyrimidine-2,4-dione
CID 54525495
[(1R,2R)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)cycloheptyl]oxymethylphosphonic acid
CID 10687989
[(2R,3R,5R)-3-hydroxy-5-(5-(113C)methyl-2,4-dioxo(2,4,5,6-13C4)pyrimidin-1-yl)(2,3,4,5-13C4)oxolan-2-yl](113C)methyl dihydrogen phosphate
CID 169494068
[(2R,3R,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 20711568
[(2S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 133126478
[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 6993211
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate;2,3,4-trimethylpyridine
CID 66936233
methyl-[[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinic acid
CID 53436996
[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate
CID 5463
bis[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] hydrogen phosphate
CID 3035025

Frequently Asked Questions

What is the IUPAC name of [5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-yl]oxymethylphosphonic acid?
The IUPAC name of [5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-yl]oxymethylphosphonic acid (CID 143334289) is [5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-yl]oxymethylphosphonic acid.
What is the SMILES notation for [5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-yl]oxymethylphosphonic acid?
The canonical SMILES for [5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-yl]oxymethylphosphonic acid is Cc1cn(-c2ccc(OCP(=O)(O)O)o2)c(=O)[nH]c1=O.
What is the InChIKey of [5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-yl]oxymethylphosphonic acid?
The InChIKey is HLMITVMFSORCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N2O7P/c1-6-4-12(10(14)11-9(6)13)7-2-3-8(19-7)18-5-20(15,16)17/h2-4H,5H2,1H3,(H,11,13,14)(H2,15,16,17).
What are the key properties of [5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-yl]oxymethylphosphonic acid?
[5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-yl]oxymethylphosphonic acid has a molecular weight of 302.18 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methyl-2,4-dioxopyrimidin-1-yl)furan-2-yl]oxymethylphosphonic acid is sourced from PubChem (CID 143334289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).