5-(naphthalen-1-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione

C18H12N2O4 — CID 59304752

IUPAC5-(naphthalen-1-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESO=c1[nH]c(=O)c2c(Cc3cccc4ccccc34)cc(=O)oc2[nH]1
InChIInChI=1S/C18H12N2O4/c21-14-9-12(15-16(22)19-18(23)20-17(15)24-14)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,9H,8H2,(H2,19,20,22,23)
InChIKeyKKJFLQWQISNWPM-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.91
Rot. Bonds2

About 5-(naphthalen-1-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione

5-(naphthalen-1-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 59304752) has the molecular formula C18H12N2O4 and a molecular weight of 320.30 g/mol. Its IUPAC name is 5-(naphthalen-1-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-(naphthalen-1-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
PubChem CID59304752
Molecular FormulaC18H12N2O4
Molecular Weight320.30 g/mol
Exact Mass320.08
IUPAC Name5-(naphthalen-1-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESO=c1[nH]c(=O)c2c(Cc3cccc4ccccc34)cc(=O)oc2[nH]1
InChIInChI=1S/C18H12N2O4/c21-14-9-12(15-16(22)19-18(23)20-17(15)24-14)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,9H,8H2,(H2,19,20,22,23)
InChIKeyKKJFLQWQISNWPM-UHFFFAOYSA-N
XLogP1.91
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-(naphthalen-1-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (CID 59304752) is 5-(naphthalen-1-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-(naphthalen-1-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-(naphthalen-1-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is O=c1[nH]c(=O)c2c(Cc3cccc4ccccc34)cc(=O)oc2[nH]1.
What is the InChIKey of 5-(naphthalen-1-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is KKJFLQWQISNWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O4/c21-14-9-12(15-16(22)19-18(23)20-17(15)24-14)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,9H,8H2,(H2,19,20,22,23).
What are the key properties of 5-(naphthalen-1-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
5-(naphthalen-1-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 320.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 59304752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).