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

C17H16N2O4 — CID 57397200

IUPAC5-ethyl-2-(2-phenylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCCc3ccccc3)[nH]c(=O)c12
InChIInChI=1S/C17H16N2O4/c1-2-12-10-13(20)23-16-14(12)15(21)18-17(19-16)22-9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,18,19,21)
InChIKeyHSLTVDNZBLPISF-UHFFFAOYSA-N
MW312.32 g/mol
LogP2.06
Rot. Bonds5

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

5-ethyl-2-(2-phenylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 57397200) has the molecular formula C17H16N2O4 and a molecular weight of 312.32 g/mol. Its IUPAC name is 5-ethyl-2-(2-phenylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-(2-phenylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID57397200
Molecular FormulaC17H16N2O4
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC Name5-ethyl-2-(2-phenylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCCc3ccccc3)[nH]c(=O)c12
InChIInChI=1S/C17H16N2O4/c1-2-12-10-13(20)23-16-14(12)15(21)18-17(19-16)22-9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,18,19,21)
InChIKeyHSLTVDNZBLPISF-UHFFFAOYSA-N
XLogP2.06
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-phenylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-(2-phenylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 57397200) is 5-ethyl-2-(2-phenylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-(2-phenylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-(2-phenylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(OCCc3ccccc3)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-(2-phenylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is HSLTVDNZBLPISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-2-12-10-13(20)23-16-14(12)15(21)18-17(19-16)22-9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,18,19,21).
What are the key properties of 5-ethyl-2-(2-phenylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-(2-phenylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 312.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-phenylethoxy)-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 57397200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).