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

C18H18N2O5 — CID 24957079

IUPAC5-butyl-3-phenylmethoxy-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESCCCCc1cc(=O)oc2[nH]c(=O)n(OCc3ccccc3)c(=O)c12
InChIInChI=1S/C18H18N2O5/c1-2-3-9-13-10-14(21)25-16-15(13)17(22)20(18(23)19-16)24-11-12-7-5-4-6-8-12/h4-8,10H,2-3,9,11H2,1H3,(H,19,23)
InChIKeyAYPSBMVBCVPQBL-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.61
Rot. Bonds6

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

5-butyl-3-phenylmethoxy-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 24957079) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 5-butyl-3-phenylmethoxy-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-butyl-3-phenylmethoxy-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
PubChem CID24957079
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name5-butyl-3-phenylmethoxy-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESCCCCc1cc(=O)oc2[nH]c(=O)n(OCc3ccccc3)c(=O)c12
InChIInChI=1S/C18H18N2O5/c1-2-3-9-13-10-14(21)25-16-15(13)17(22)20(18(23)19-16)24-11-12-7-5-4-6-8-12/h4-8,10H,2-3,9,11H2,1H3,(H,19,23)
InChIKeyAYPSBMVBCVPQBL-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-3-phenylmethoxy-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-butyl-3-phenylmethoxy-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (CID 24957079) is 5-butyl-3-phenylmethoxy-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-butyl-3-phenylmethoxy-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-butyl-3-phenylmethoxy-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is CCCCc1cc(=O)oc2[nH]c(=O)n(OCc3ccccc3)c(=O)c12.
What is the InChIKey of 5-butyl-3-phenylmethoxy-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is AYPSBMVBCVPQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-2-3-9-13-10-14(21)25-16-15(13)17(22)20(18(23)19-16)24-11-12-7-5-4-6-8-12/h4-8,10H,2-3,9,11H2,1H3,(H,19,23).
What are the key properties of 5-butyl-3-phenylmethoxy-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
5-butyl-3-phenylmethoxy-1H-pyrano[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-3-phenylmethoxy-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 24957079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).