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

C20H13FN2O4 — CID 59304875

IUPAC5-[[4-(2-fluorophenyl)phenyl]methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESO=c1[nH]c(=O)c2c(Cc3ccc(-c4ccccc4F)cc3)cc(=O)oc2[nH]1
InChIInChI=1S/C20H13FN2O4/c21-15-4-2-1-3-14(15)12-7-5-11(6-8-12)9-13-10-16(24)27-19-17(13)18(25)22-20(26)23-19/h1-8,10H,9H2,(H2,22,23,25,26)
InChIKeyAGIYAZFSZOISBB-UHFFFAOYSA-N
MW364.33 g/mol
LogP2.57
Rot. Bonds3

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

5-[[4-(2-fluorophenyl)phenyl]methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 59304875) has the molecular formula C20H13FN2O4 and a molecular weight of 364.33 g/mol. Its IUPAC name is 5-[[4-(2-fluorophenyl)phenyl]methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-[[4-(2-fluorophenyl)phenyl]methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
PubChem CID59304875
Molecular FormulaC20H13FN2O4
Molecular Weight364.33 g/mol
Exact Mass364.09
IUPAC Name5-[[4-(2-fluorophenyl)phenyl]methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESO=c1[nH]c(=O)c2c(Cc3ccc(-c4ccccc4F)cc3)cc(=O)oc2[nH]1
InChIInChI=1S/C20H13FN2O4/c21-15-4-2-1-3-14(15)12-7-5-11(6-8-12)9-13-10-16(24)27-19-17(13)18(25)22-20(26)23-19/h1-8,10H,9H2,(H2,22,23,25,26)
InChIKeyAGIYAZFSZOISBB-UHFFFAOYSA-N
XLogP2.57
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-fluorophenyl)phenyl]methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-[[4-(2-fluorophenyl)phenyl]methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (CID 59304875) is 5-[[4-(2-fluorophenyl)phenyl]methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-[[4-(2-fluorophenyl)phenyl]methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-[[4-(2-fluorophenyl)phenyl]methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is O=c1[nH]c(=O)c2c(Cc3ccc(-c4ccccc4F)cc3)cc(=O)oc2[nH]1.
What is the InChIKey of 5-[[4-(2-fluorophenyl)phenyl]methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is AGIYAZFSZOISBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O4/c21-15-4-2-1-3-14(15)12-7-5-11(6-8-12)9-13-10-16(24)27-19-17(13)18(25)22-20(26)23-19/h1-8,10H,9H2,(H2,22,23,25,26).
What are the key properties of 5-[[4-(2-fluorophenyl)phenyl]methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
5-[[4-(2-fluorophenyl)phenyl]methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 364.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-fluorophenyl)phenyl]methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 59304875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).