2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-diethylethanamine

C16H19N3O2 — CID 667005

IUPAC2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ncnc2c1oc1ccccc12
InChIInChI=1S/C16H19N3O2/c1-3-19(4-2)9-10-20-16-15-14(17-11-18-16)12-7-5-6-8-13(12)21-15/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyNMOQFBBKVZLSIJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.10
Rot. Bonds6

About 2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-diethylethanamine

2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-diethylethanamine (PubChem CID 667005) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-diethylethanamine
PubChem CID667005
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ncnc2c1oc1ccccc12
InChIInChI=1S/C16H19N3O2/c1-3-19(4-2)9-10-20-16-15-14(17-11-18-16)12-7-5-6-8-13(12)21-15/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyNMOQFBBKVZLSIJ-UHFFFAOYSA-N
XLogP3.10
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-diethylethanamine?
The IUPAC name of 2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-diethylethanamine (CID 667005) is 2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-diethylethanamine.
What is the SMILES notation for 2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-diethylethanamine?
The canonical SMILES for 2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-diethylethanamine is CCN(CC)CCOc1ncnc2c1oc1ccccc12.
What is the InChIKey of 2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-diethylethanamine?
The InChIKey is NMOQFBBKVZLSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-19(4-2)9-10-20-16-15-14(17-11-18-16)12-7-5-6-8-13(12)21-15/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of 2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-diethylethanamine?
2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-diethylethanamine has a molecular weight of 285.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-diethylethanamine is sourced from PubChem (CID 667005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).