5-(2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-5-yl)-1,3-diazinane-2,4,6-trione

C15H10N4O6 — CID 3637324

IUPAC5-(2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-5-yl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(C2c3ccccc3Oc3[nH]c(=O)[nH]c(=O)c32)C(=O)N1
InChIInChI=1S/C15H10N4O6/c20-10-8(11(21)17-14(23)16-10)7-5-3-1-2-4-6(5)25-13-9(7)12(22)18-15(24)19-13/h1-4,7-8H,(H2,18,19,22,24)(H2,16,17,20,21,23)
InChIKeyTYOASCKTVMEBDL-UHFFFAOYSA-N
MW342.27 g/mol
LogP-0.72
Rot. Bonds1

About 5-(2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-5-yl)-1,3-diazinane-2,4,6-trione

5-(2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-5-yl)-1,3-diazinane-2,4,6-trione (PubChem CID 3637324) has the molecular formula C15H10N4O6 and a molecular weight of 342.27 g/mol. Its IUPAC name is 5-(2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-5-yl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-5-yl)-1,3-diazinane-2,4,6-trione
PubChem CID3637324
Molecular FormulaC15H10N4O6
Molecular Weight342.27 g/mol
Exact Mass342.06
IUPAC Name5-(2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-5-yl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(C2c3ccccc3Oc3[nH]c(=O)[nH]c(=O)c32)C(=O)N1
InChIInChI=1S/C15H10N4O6/c20-10-8(11(21)17-14(23)16-10)7-5-3-1-2-4-6(5)25-13-9(7)12(22)18-15(24)19-13/h1-4,7-8H,(H2,18,19,22,24)(H2,16,17,20,21,23)
InChIKeyTYOASCKTVMEBDL-UHFFFAOYSA-N
XLogP-0.72
TPSA150.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-5-yl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-5-yl)-1,3-diazinane-2,4,6-trione (CID 3637324) is 5-(2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-5-yl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-5-yl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-5-yl)-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(C2c3ccccc3Oc3[nH]c(=O)[nH]c(=O)c32)C(=O)N1.
What is the InChIKey of 5-(2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-5-yl)-1,3-diazinane-2,4,6-trione?
The InChIKey is TYOASCKTVMEBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O6/c20-10-8(11(21)17-14(23)16-10)7-5-3-1-2-4-6(5)25-13-9(7)12(22)18-15(24)19-13/h1-4,7-8H,(H2,18,19,22,24)(H2,16,17,20,21,23).
What are the key properties of 5-(2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-5-yl)-1,3-diazinane-2,4,6-trione?
5-(2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-5-yl)-1,3-diazinane-2,4,6-trione has a molecular weight of 342.27 g/mol, XLogP of -0.72, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-5-yl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3637324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).