5-(4-hydroxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione

C13H10N2O5 — CID 171342372

IUPAC5-(4-hydroxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESO=C1CC(c2ccc(O)cc2)c2c([nH]c(=O)[nH]c2=O)O1
InChIInChI=1S/C13H10N2O5/c16-7-3-1-6(2-4-7)8-5-9(17)20-12-10(8)11(18)14-13(19)15-12/h1-4,8,16H,5H2,(H2,14,15,18,19)
InChIKeyONJIJBTYCBIICA-UHFFFAOYSA-N
MW274.23 g/mol
LogP0.21
Rot. Bonds1

About 5-(4-hydroxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione

5-(4-hydroxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 171342372) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
PubChem CID171342372
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name5-(4-hydroxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESO=C1CC(c2ccc(O)cc2)c2c([nH]c(=O)[nH]c2=O)O1
InChIInChI=1S/C13H10N2O5/c16-7-3-1-6(2-4-7)8-5-9(17)20-12-10(8)11(18)14-13(19)15-12/h1-4,8,16H,5H2,(H2,14,15,18,19)
InChIKeyONJIJBTYCBIICA-UHFFFAOYSA-N
XLogP0.21
TPSA112.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-(4-hydroxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (CID 171342372) is 5-(4-hydroxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-(4-hydroxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-(4-hydroxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is O=C1CC(c2ccc(O)cc2)c2c([nH]c(=O)[nH]c2=O)O1.
What is the InChIKey of 5-(4-hydroxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is ONJIJBTYCBIICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c16-7-3-1-6(2-4-7)8-5-9(17)20-12-10(8)11(18)14-13(19)15-12/h1-4,8,16H,5H2,(H2,14,15,18,19).
What are the key properties of 5-(4-hydroxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
5-(4-hydroxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 274.23 g/mol, XLogP of 0.21, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 171342372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).