(2,4-dioxo-1H-pyrimidin-6-yl) dihydrogen phosphate

C4H5N2O6P — CID 11333245

IUPAC(2,4-dioxo-1H-pyrimidin-6-yl) dihydrogen phosphate
SMILESO=c1cc(OP(=O)(O)O)[nH]c(=O)[nH]1
InChIInChI=1S/C4H5N2O6P/c7-2-1-3(6-4(8)5-2)12-13(9,10)11/h1H,(H2,9,10,11)(H2,5,6,7,8)
InChIKeyYWXJADCYTKOVID-UHFFFAOYSA-N
MW208.07 g/mol
LogP-1.47
Rot. Bonds2

About (2,4-dioxo-1H-pyrimidin-6-yl) dihydrogen phosphate

(2,4-dioxo-1H-pyrimidin-6-yl) dihydrogen phosphate (PubChem CID 11333245) has the molecular formula C4H5N2O6P and a molecular weight of 208.07 g/mol. Its IUPAC name is (2,4-dioxo-1H-pyrimidin-6-yl) dihydrogen phosphate.

Molecular Properties

Compound Name(2,4-dioxo-1H-pyrimidin-6-yl) dihydrogen phosphate
PubChem CID11333245
Molecular FormulaC4H5N2O6P
Molecular Weight208.07 g/mol
Exact Mass207.99
IUPAC Name(2,4-dioxo-1H-pyrimidin-6-yl) dihydrogen phosphate
SMILESO=c1cc(OP(=O)(O)O)[nH]c(=O)[nH]1
InChIInChI=1S/C4H5N2O6P/c7-2-1-3(6-4(8)5-2)12-13(9,10)11/h1H,(H2,9,10,11)(H2,5,6,7,8)
InChIKeyYWXJADCYTKOVID-UHFFFAOYSA-N
XLogP-1.47
TPSA132.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.07
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,4-dioxo-1H-pyrimidin-6-yl) dihydrogen phosphate?
The IUPAC name of (2,4-dioxo-1H-pyrimidin-6-yl) dihydrogen phosphate (CID 11333245) is (2,4-dioxo-1H-pyrimidin-6-yl) dihydrogen phosphate.
What is the SMILES notation for (2,4-dioxo-1H-pyrimidin-6-yl) dihydrogen phosphate?
The canonical SMILES for (2,4-dioxo-1H-pyrimidin-6-yl) dihydrogen phosphate is O=c1cc(OP(=O)(O)O)[nH]c(=O)[nH]1.
What is the InChIKey of (2,4-dioxo-1H-pyrimidin-6-yl) dihydrogen phosphate?
The InChIKey is YWXJADCYTKOVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N2O6P/c7-2-1-3(6-4(8)5-2)12-13(9,10)11/h1H,(H2,9,10,11)(H2,5,6,7,8).
What are the key properties of (2,4-dioxo-1H-pyrimidin-6-yl) dihydrogen phosphate?
(2,4-dioxo-1H-pyrimidin-6-yl) dihydrogen phosphate has a molecular weight of 208.07 g/mol, XLogP of -1.47, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dioxo-1H-pyrimidin-6-yl) dihydrogen phosphate is sourced from PubChem (CID 11333245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).