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

C14H15N3O2 — CID 2039866

IUPAC2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1ncnc2c1oc1ccccc12
InChIInChI=1S/C14H15N3O2/c1-17(2)7-8-18-14-13-12(15-9-16-14)10-5-3-4-6-11(10)19-13/h3-6,9H,7-8H2,1-2H3
InChIKeyBDAAPZPARUQZGV-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.32
Rot. Bonds4

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

2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-dimethylethanamine (PubChem CID 2039866) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-dimethylethanamine
PubChem CID2039866
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1ncnc2c1oc1ccccc12
InChIInChI=1S/C14H15N3O2/c1-17(2)7-8-18-14-13-12(15-9-16-14)10-5-3-4-6-11(10)19-13/h3-6,9H,7-8H2,1-2H3
InChIKeyBDAAPZPARUQZGV-UHFFFAOYSA-N
XLogP2.32
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.32
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-dimethylethanamine?
The IUPAC name of 2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-dimethylethanamine (CID 2039866) is 2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-dimethylethanamine is CN(C)CCOc1ncnc2c1oc1ccccc12.
What is the InChIKey of 2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-dimethylethanamine?
The InChIKey is BDAAPZPARUQZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-17(2)7-8-18-14-13-12(15-9-16-14)10-5-3-4-6-11(10)19-13/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-dimethylethanamine?
2-([1]benzofuro[3,2-d]pyrimidin-4-yloxy)-N,N-dimethylethanamine has a molecular weight of 257.29 g/mol, XLogP of 2.32, 4 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-dimethylethanamine is sourced from PubChem (CID 2039866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).