5-ethyl-2-[(3-methoxyphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C17H16N2O5 — CID 57398905

IUPAC5-ethyl-2-[(3-methoxyphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3cccc(OC)c3)[nH]c(=O)c12
InChIInChI=1S/C17H16N2O5/c1-3-11-8-13(20)24-16-14(11)15(21)18-17(19-16)23-9-10-5-4-6-12(7-10)22-2/h4-8H,3,9H2,1-2H3,(H,18,19,21)
InChIKeyBPPNNQKNOGTGBV-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.03
Rot. Bonds5

About 5-ethyl-2-[(3-methoxyphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

5-ethyl-2-[(3-methoxyphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 57398905) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is 5-ethyl-2-[(3-methoxyphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-[(3-methoxyphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID57398905
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name5-ethyl-2-[(3-methoxyphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3cccc(OC)c3)[nH]c(=O)c12
InChIInChI=1S/C17H16N2O5/c1-3-11-8-13(20)24-16-14(11)15(21)18-17(19-16)23-9-10-5-4-6-12(7-10)22-2/h4-8H,3,9H2,1-2H3,(H,18,19,21)
InChIKeyBPPNNQKNOGTGBV-UHFFFAOYSA-N
XLogP2.03
TPSA94.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(3-methoxyphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-[(3-methoxyphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 57398905) is 5-ethyl-2-[(3-methoxyphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-[(3-methoxyphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-[(3-methoxyphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(OCc3cccc(OC)c3)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-[(3-methoxyphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is BPPNNQKNOGTGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-3-11-8-13(20)24-16-14(11)15(21)18-17(19-16)23-9-10-5-4-6-12(7-10)22-2/h4-8H,3,9H2,1-2H3,(H,18,19,21).
What are the key properties of 5-ethyl-2-[(3-methoxyphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-[(3-methoxyphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 328.32 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(3-methoxyphenyl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 57398905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).