2-ethyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride

C18H17ClN4O — CID 6602803

IUPAC2-ethyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCCc1nc(NCc2ccccn2)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C18H16N4O.ClH/c1-2-15-21-16-13-8-3-4-9-14(13)23-17(16)18(22-15)20-11-12-7-5-6-10-19-12;/h3-10H,2,11H2,1H3,(H,20,21,22);1H
InChIKeyFOCGFUWIIUPOKH-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.37
Rot. Bonds4

About 2-ethyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride

2-ethyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (PubChem CID 6602803) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-ethyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-ethyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
PubChem CID6602803
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name2-ethyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCCc1nc(NCc2ccccn2)c2oc3ccccc3c2n1.Cl
InChIInChI=1S/C18H16N4O.ClH/c1-2-15-21-16-13-8-3-4-9-14(13)23-17(16)18(22-15)20-11-12-7-5-6-10-19-12;/h3-10H,2,11H2,1H3,(H,20,21,22);1H
InChIKeyFOCGFUWIIUPOKH-UHFFFAOYSA-N
XLogP4.37
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride 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-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-ethyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride (CID 6602803) is 2-ethyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-ethyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-ethyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is CCc1nc(NCc2ccccn2)c2oc3ccccc3c2n1.Cl.
What is the InChIKey of 2-ethyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is FOCGFUWIIUPOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O.ClH/c1-2-15-21-16-13-8-3-4-9-14(13)23-17(16)18(22-15)20-11-12-7-5-6-10-19-12;/h3-10H,2,11H2,1H3,(H,20,21,22);1H.
What are the key properties of 2-ethyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride?
2-ethyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 340.81 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 6602803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).