2-ethyl-3-(2-methoxyethyl)chromeno[2,3-d]pyrimidine-4,5-dione

C16H16N2O4 — CID 666226

IUPAC2-ethyl-3-(2-methoxyethyl)chromeno[2,3-d]pyrimidine-4,5-dione
SMILESCCc1nc2oc3ccccc3c(=O)c2c(=O)n1CCOC
InChIInChI=1S/C16H16N2O4/c1-3-12-17-15-13(16(20)18(12)8-9-21-2)14(19)10-6-4-5-7-11(10)22-15/h4-7H,3,8-9H2,1-2H3
InChIKeyJXASXKLTLWFIND-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.71
Rot. Bonds4

About 2-ethyl-3-(2-methoxyethyl)chromeno[2,3-d]pyrimidine-4,5-dione

2-ethyl-3-(2-methoxyethyl)chromeno[2,3-d]pyrimidine-4,5-dione (PubChem CID 666226) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-ethyl-3-(2-methoxyethyl)chromeno[2,3-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name2-ethyl-3-(2-methoxyethyl)chromeno[2,3-d]pyrimidine-4,5-dione
PubChem CID666226
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-ethyl-3-(2-methoxyethyl)chromeno[2,3-d]pyrimidine-4,5-dione
SMILESCCc1nc2oc3ccccc3c(=O)c2c(=O)n1CCOC
InChIInChI=1S/C16H16N2O4/c1-3-12-17-15-13(16(20)18(12)8-9-21-2)14(19)10-6-4-5-7-11(10)22-15/h4-7H,3,8-9H2,1-2H3
InChIKeyJXASXKLTLWFIND-UHFFFAOYSA-N
XLogP1.71
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.71
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-ethyl-3-(2-methoxyethyl)chromeno[2,3-d]pyrimidine-4,5-dione?
The IUPAC name of 2-ethyl-3-(2-methoxyethyl)chromeno[2,3-d]pyrimidine-4,5-dione (CID 666226) is 2-ethyl-3-(2-methoxyethyl)chromeno[2,3-d]pyrimidine-4,5-dione.
What is the SMILES notation for 2-ethyl-3-(2-methoxyethyl)chromeno[2,3-d]pyrimidine-4,5-dione?
The canonical SMILES for 2-ethyl-3-(2-methoxyethyl)chromeno[2,3-d]pyrimidine-4,5-dione is CCc1nc2oc3ccccc3c(=O)c2c(=O)n1CCOC.
What is the InChIKey of 2-ethyl-3-(2-methoxyethyl)chromeno[2,3-d]pyrimidine-4,5-dione?
The InChIKey is JXASXKLTLWFIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-3-12-17-15-13(16(20)18(12)8-9-21-2)14(19)10-6-4-5-7-11(10)22-15/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 2-ethyl-3-(2-methoxyethyl)chromeno[2,3-d]pyrimidine-4,5-dione?
2-ethyl-3-(2-methoxyethyl)chromeno[2,3-d]pyrimidine-4,5-dione has a molecular weight of 300.31 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(2-methoxyethyl)chromeno[2,3-d]pyrimidine-4,5-dione is sourced from PubChem (CID 666226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).