2-ethyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine

C19H24N4O2 — CID 664209

IUPAC2-ethyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCCc1nc(NCCCN2CCOCC2)c2oc3ccccc3c2n1
InChIInChI=1S/C19H24N4O2/c1-2-16-21-17-14-6-3-4-7-15(14)25-18(17)19(22-16)20-8-5-9-23-10-12-24-13-11-23/h3-4,6-7H,2,5,8-13H2,1H3,(H,20,21,22)
InChIKeyGOGQENSDSSMFKU-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.07
Rot. Bonds6

About 2-ethyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine

2-ethyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 664209) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-ethyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID664209
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-ethyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCCc1nc(NCCCN2CCOCC2)c2oc3ccccc3c2n1
InChIInChI=1S/C19H24N4O2/c1-2-16-21-17-14-6-3-4-7-15(14)25-18(17)19(22-16)20-8-5-9-23-10-12-24-13-11-23/h3-4,6-7H,2,5,8-13H2,1H3,(H,20,21,22)
InChIKeyGOGQENSDSSMFKU-UHFFFAOYSA-N
XLogP3.07
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-ethyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 664209) is 2-ethyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is CCc1nc(NCCCN2CCOCC2)c2oc3ccccc3c2n1.
What is the InChIKey of 2-ethyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is GOGQENSDSSMFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-16-21-17-14-6-3-4-7-15(14)25-18(17)19(22-16)20-8-5-9-23-10-12-24-13-11-23/h3-4,6-7H,2,5,8-13H2,1H3,(H,20,21,22).
What are the key properties of 2-ethyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
2-ethyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 340.43 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-morpholin-4-ylpropyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 664209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).