5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione

C14H10N2O4 — CID 59304872

IUPAC5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESO=c1[nH]c(=O)c2c(Cc3ccccc3)cc(=O)oc2[nH]1
InChIInChI=1S/C14H10N2O4/c17-10-7-9(6-8-4-2-1-3-5-8)11-12(18)15-14(19)16-13(11)20-10/h1-5,7H,6H2,(H2,15,16,18,19)
InChIKeyVUPOEZCUOWVDLE-UHFFFAOYSA-N
MW270.24 g/mol
LogP0.76
Rot. Bonds2

About 5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione

5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 59304872) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
PubChem CID59304872
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESO=c1[nH]c(=O)c2c(Cc3ccccc3)cc(=O)oc2[nH]1
InChIInChI=1S/C14H10N2O4/c17-10-7-9(6-8-4-2-1-3-5-8)11-12(18)15-14(19)16-13(11)20-10/h1-5,7H,6H2,(H2,15,16,18,19)
InChIKeyVUPOEZCUOWVDLE-UHFFFAOYSA-N
XLogP0.76
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (CID 59304872) is 5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is O=c1[nH]c(=O)c2c(Cc3ccccc3)cc(=O)oc2[nH]1.
What is the InChIKey of 5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is VUPOEZCUOWVDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c17-10-7-9(6-8-4-2-1-3-5-8)11-12(18)15-14(19)16-13(11)20-10/h1-5,7H,6H2,(H2,15,16,18,19).
What are the key properties of 5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 270.24 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 59304872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).