5-butyl-1-phenylmethoxypyrano[2,3-d]pyrimidine-2,4,7-trione

C18H18N2O5 — CID 24956723

IUPAC5-butyl-1-phenylmethoxypyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESCCCCc1cc(=O)oc2c1c(=O)[nH]c(=O)n2OCc1ccccc1
InChIInChI=1S/C18H18N2O5/c1-2-3-9-13-10-14(21)25-17-15(13)16(22)19-18(23)20(17)24-11-12-7-5-4-6-8-12/h4-8,10H,2-3,9,11H2,1H3,(H,19,22,23)
InChIKeyRZOJRMYKVVKSNG-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.61
Rot. Bonds6

About 5-butyl-1-phenylmethoxypyrano[2,3-d]pyrimidine-2,4,7-trione

5-butyl-1-phenylmethoxypyrano[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 24956723) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 5-butyl-1-phenylmethoxypyrano[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-butyl-1-phenylmethoxypyrano[2,3-d]pyrimidine-2,4,7-trione
PubChem CID24956723
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name5-butyl-1-phenylmethoxypyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESCCCCc1cc(=O)oc2c1c(=O)[nH]c(=O)n2OCc1ccccc1
InChIInChI=1S/C18H18N2O5/c1-2-3-9-13-10-14(21)25-17-15(13)16(22)19-18(23)20(17)24-11-12-7-5-4-6-8-12/h4-8,10H,2-3,9,11H2,1H3,(H,19,22,23)
InChIKeyRZOJRMYKVVKSNG-UHFFFAOYSA-N
XLogP1.61
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-phenylmethoxypyrano[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-butyl-1-phenylmethoxypyrano[2,3-d]pyrimidine-2,4,7-trione (CID 24956723) is 5-butyl-1-phenylmethoxypyrano[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-butyl-1-phenylmethoxypyrano[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-butyl-1-phenylmethoxypyrano[2,3-d]pyrimidine-2,4,7-trione is CCCCc1cc(=O)oc2c1c(=O)[nH]c(=O)n2OCc1ccccc1.
What is the InChIKey of 5-butyl-1-phenylmethoxypyrano[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is RZOJRMYKVVKSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-2-3-9-13-10-14(21)25-17-15(13)16(22)19-18(23)20(17)24-11-12-7-5-4-6-8-12/h4-8,10H,2-3,9,11H2,1H3,(H,19,22,23).
What are the key properties of 5-butyl-1-phenylmethoxypyrano[2,3-d]pyrimidine-2,4,7-trione?
5-butyl-1-phenylmethoxypyrano[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 342.35 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-phenylmethoxypyrano[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 24956723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).