2-(furan-2-yl)-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione

C23H16N2O4 — CID 666242

IUPAC2-(furan-2-yl)-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione
SMILESO=c1c2ccccc2oc2nc(-c3ccco3)n(CCc3ccccc3)c(=O)c12
InChIInChI=1S/C23H16N2O4/c26-20-16-9-4-5-10-17(16)29-22-19(20)23(27)25(13-12-15-7-2-1-3-8-15)21(24-22)18-11-6-14-28-18/h1-11,14H,12-13H2
InChIKeyMAYNHXOAHZTAAQ-UHFFFAOYSA-N
MW384.39 g/mol
LogP4.01
Rot. Bonds4

About 2-(furan-2-yl)-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione

2-(furan-2-yl)-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione (PubChem CID 666242) has the molecular formula C23H16N2O4 and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name2-(furan-2-yl)-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione
PubChem CID666242
Molecular FormulaC23H16N2O4
Molecular Weight384.39 g/mol
Exact Mass384.11
IUPAC Name2-(furan-2-yl)-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione
SMILESO=c1c2ccccc2oc2nc(-c3ccco3)n(CCc3ccccc3)c(=O)c12
InChIInChI=1S/C23H16N2O4/c26-20-16-9-4-5-10-17(16)29-22-19(20)23(27)25(13-12-15-7-2-1-3-8-15)21(24-22)18-11-6-14-28-18/h1-11,14H,12-13H2
InChIKeyMAYNHXOAHZTAAQ-UHFFFAOYSA-N
XLogP4.01
TPSA78.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione?
The IUPAC name of 2-(furan-2-yl)-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione (CID 666242) is 2-(furan-2-yl)-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione.
What is the SMILES notation for 2-(furan-2-yl)-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione?
The canonical SMILES for 2-(furan-2-yl)-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione is O=c1c2ccccc2oc2nc(-c3ccco3)n(CCc3ccccc3)c(=O)c12.
What is the InChIKey of 2-(furan-2-yl)-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione?
The InChIKey is MAYNHXOAHZTAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O4/c26-20-16-9-4-5-10-17(16)29-22-19(20)23(27)25(13-12-15-7-2-1-3-8-15)21(24-22)18-11-6-14-28-18/h1-11,14H,12-13H2.
What are the key properties of 2-(furan-2-yl)-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione?
2-(furan-2-yl)-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione has a molecular weight of 384.39 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-(2-phenylethyl)chromeno[2,3-d]pyrimidine-4,5-dione is sourced from PubChem (CID 666242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).