6-benzyl-5-hydroxy-2-phenyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C20H14N2O4 — CID 54698093

IUPAC6-benzyl-5-hydroxy-2-phenyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESO=c1oc2nc(-c3ccccc3)[nH]c(=O)c2c(O)c1Cc1ccccc1
InChIInChI=1S/C20H14N2O4/c23-16-14(11-12-7-3-1-4-8-12)20(25)26-19-15(16)18(24)21-17(22-19)13-9-5-2-6-10-13/h1-10,23H,11H2,(H,21,22,24)
InChIKeyQGIIEPYRLQBDQG-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.84
Rot. Bonds3

About 6-benzyl-5-hydroxy-2-phenyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione

6-benzyl-5-hydroxy-2-phenyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 54698093) has the molecular formula C20H14N2O4 and a molecular weight of 346.34 g/mol. Its IUPAC name is 6-benzyl-5-hydroxy-2-phenyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name6-benzyl-5-hydroxy-2-phenyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID54698093
Molecular FormulaC20H14N2O4
Molecular Weight346.34 g/mol
Exact Mass346.10
IUPAC Name6-benzyl-5-hydroxy-2-phenyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESO=c1oc2nc(-c3ccccc3)[nH]c(=O)c2c(O)c1Cc1ccccc1
InChIInChI=1S/C20H14N2O4/c23-16-14(11-12-7-3-1-4-8-12)20(25)26-19-15(16)18(24)21-17(22-19)13-9-5-2-6-10-13/h1-10,23H,11H2,(H,21,22,24)
InChIKeyQGIIEPYRLQBDQG-UHFFFAOYSA-N
XLogP2.84
TPSA96.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-hydroxy-2-phenyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 6-benzyl-5-hydroxy-2-phenyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 54698093) is 6-benzyl-5-hydroxy-2-phenyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 6-benzyl-5-hydroxy-2-phenyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 6-benzyl-5-hydroxy-2-phenyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is O=c1oc2nc(-c3ccccc3)[nH]c(=O)c2c(O)c1Cc1ccccc1.
What is the InChIKey of 6-benzyl-5-hydroxy-2-phenyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is QGIIEPYRLQBDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4/c23-16-14(11-12-7-3-1-4-8-12)20(25)26-19-15(16)18(24)21-17(22-19)13-9-5-2-6-10-13/h1-10,23H,11H2,(H,21,22,24).
What are the key properties of 6-benzyl-5-hydroxy-2-phenyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
6-benzyl-5-hydroxy-2-phenyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 346.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-hydroxy-2-phenyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 54698093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).