5-benzyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C21H16N2O4 — CID 59304560

IUPAC5-benzyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESO=c1cc(Cc2ccccc2)c2c(=O)[nH]c(OCc3ccccc3)nc2o1
InChIInChI=1S/C21H16N2O4/c24-17-12-16(11-14-7-3-1-4-8-14)18-19(25)22-21(23-20(18)27-17)26-13-15-9-5-2-6-10-15/h1-10,12H,11,13H2,(H,22,23,25)
InChIKeyMWPMKXCSLPSDLJ-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.05
Rot. Bonds5

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

5-benzyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 59304560) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 5-benzyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-benzyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID59304560
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name5-benzyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESO=c1cc(Cc2ccccc2)c2c(=O)[nH]c(OCc3ccccc3)nc2o1
InChIInChI=1S/C21H16N2O4/c24-17-12-16(11-14-7-3-1-4-8-14)18-19(25)22-21(23-20(18)27-17)26-13-15-9-5-2-6-10-15/h1-10,12H,11,13H2,(H,22,23,25)
InChIKeyMWPMKXCSLPSDLJ-UHFFFAOYSA-N
XLogP3.05
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-benzyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 59304560) is 5-benzyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-benzyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-benzyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione is O=c1cc(Cc2ccccc2)c2c(=O)[nH]c(OCc3ccccc3)nc2o1.
What is the InChIKey of 5-benzyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is MWPMKXCSLPSDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c24-17-12-16(11-14-7-3-1-4-8-14)18-19(25)22-21(23-20(18)27-17)26-13-15-9-5-2-6-10-15/h1-10,12H,11,13H2,(H,22,23,25).
What are the key properties of 5-benzyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-benzyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 360.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 59304560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).