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

C13H8N2O4 — CID 70696472

IUPAC5-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESO=c1[nH]c(=O)c2c(-c3ccccc3)cc(=O)oc2[nH]1
InChIInChI=1S/C13H8N2O4/c16-9-6-8(7-4-2-1-3-5-7)10-11(17)14-13(18)15-12(10)19-9/h1-6H,(H2,14,15,17,18)
InChIKeyBREQCGFCJJGAMY-UHFFFAOYSA-N
MW256.22 g/mol
LogP0.84
Rot. Bonds1

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

5-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 70696472) has the molecular formula C13H8N2O4 and a molecular weight of 256.22 g/mol. Its IUPAC name is 5-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
PubChem CID70696472
Molecular FormulaC13H8N2O4
Molecular Weight256.22 g/mol
Exact Mass256.05
IUPAC Name5-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESO=c1[nH]c(=O)c2c(-c3ccccc3)cc(=O)oc2[nH]1
InChIInChI=1S/C13H8N2O4/c16-9-6-8(7-4-2-1-3-5-7)10-11(17)14-13(18)15-12(10)19-9/h1-6H,(H2,14,15,17,18)
InChIKeyBREQCGFCJJGAMY-UHFFFAOYSA-N
XLogP0.84
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenyl)methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 70681781
5-(3-phenylpropyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 70683894
5-Phenyl-5H-pyrano[2,3-d
CID 493433
5-[(3-fluorophenyl)methyl]-2-sulfanylidene-1H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 58925908
5-butyl-6-[4-(trifluoromethyl)phenyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 59304636
5-(2-cyclobutylethyl)-6-(4-fluorophenyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 59304656
5-[(3-fluorophenyl)methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 59304728
5-[(2-fluorophenyl)methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 59304743
5-butyl-6-(4-fluorophenyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 59304768
5-[[4-(2-fluorophenyl)phenyl]methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 59304875
5-[2-(cyclobutadienyl)ethyl]-6-(4-fluorophenyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 143332930
5-benzyl-6-hydroxy-1H-pyrimidine-2,4-dione
CID 13802322

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (CID 70696472) is 5-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is O=c1[nH]c(=O)c2c(-c3ccccc3)cc(=O)oc2[nH]1.
What is the InChIKey of 5-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is BREQCGFCJJGAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O4/c16-9-6-8(7-4-2-1-3-5-7)10-11(17)14-13(18)15-12(10)19-9/h1-6H,(H2,14,15,17,18).
What are the key properties of 5-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
5-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 256.22 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 70696472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).