6-(1-benzofuran-2-yl)-4-ethoxypyrido[3,2-d]pyrimidine

C17H13N3O2 — CID 69078730

IUPAC6-(1-benzofuran-2-yl)-4-ethoxypyrido[3,2-d]pyrimidine
SMILESCCOc1ncnc2ccc(-c3cc4ccccc4o3)nc12
InChIInChI=1S/C17H13N3O2/c1-2-21-17-16-13(18-10-19-17)8-7-12(20-16)15-9-11-5-3-4-6-14(11)22-15/h3-10H,2H2,1H3
InChIKeyLDCSUYQAHQNVBE-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.84
Rot. Bonds3

About 6-(1-benzofuran-2-yl)-4-ethoxypyrido[3,2-d]pyrimidine

6-(1-benzofuran-2-yl)-4-ethoxypyrido[3,2-d]pyrimidine (PubChem CID 69078730) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-4-ethoxypyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-4-ethoxypyrido[3,2-d]pyrimidine
PubChem CID69078730
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name6-(1-benzofuran-2-yl)-4-ethoxypyrido[3,2-d]pyrimidine
SMILESCCOc1ncnc2ccc(-c3cc4ccccc4o3)nc12
InChIInChI=1S/C17H13N3O2/c1-2-21-17-16-13(18-10-19-17)8-7-12(20-16)15-9-11-5-3-4-6-14(11)22-15/h3-10H,2H2,1H3
InChIKeyLDCSUYQAHQNVBE-UHFFFAOYSA-N
XLogP3.84
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-4-ethoxypyrido[3,2-d]pyrimidine?
The IUPAC name of 6-(1-benzofuran-2-yl)-4-ethoxypyrido[3,2-d]pyrimidine (CID 69078730) is 6-(1-benzofuran-2-yl)-4-ethoxypyrido[3,2-d]pyrimidine.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-4-ethoxypyrido[3,2-d]pyrimidine?
The canonical SMILES for 6-(1-benzofuran-2-yl)-4-ethoxypyrido[3,2-d]pyrimidine is CCOc1ncnc2ccc(-c3cc4ccccc4o3)nc12.
What is the InChIKey of 6-(1-benzofuran-2-yl)-4-ethoxypyrido[3,2-d]pyrimidine?
The InChIKey is LDCSUYQAHQNVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-2-21-17-16-13(18-10-19-17)8-7-12(20-16)15-9-11-5-3-4-6-14(11)22-15/h3-10H,2H2,1H3.
What are the key properties of 6-(1-benzofuran-2-yl)-4-ethoxypyrido[3,2-d]pyrimidine?
6-(1-benzofuran-2-yl)-4-ethoxypyrido[3,2-d]pyrimidine has a molecular weight of 291.31 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-4-ethoxypyrido[3,2-d]pyrimidine is sourced from PubChem (CID 69078730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).