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

C22H16N4O — CID 666019

IUPAC2-phenyl-N-(pyridin-3-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESc1ccc(-c2nc(NCc3cccnc3)c3oc4ccccc4c3n2)cc1
InChIInChI=1S/C22H16N4O/c1-2-8-16(9-3-1)21-25-19-17-10-4-5-11-18(17)27-20(19)22(26-21)24-14-15-7-6-12-23-13-15/h1-13H,14H2,(H,24,25,26)
InChIKeyFRBYEGJZPFGBKQ-UHFFFAOYSA-N
MW352.40 g/mol
LogP5.05
Rot. Bonds4

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

2-phenyl-N-(pyridin-3-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 666019) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-phenyl-N-(pyridin-3-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-phenyl-N-(pyridin-3-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID666019
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name2-phenyl-N-(pyridin-3-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESc1ccc(-c2nc(NCc3cccnc3)c3oc4ccccc4c3n2)cc1
InChIInChI=1S/C22H16N4O/c1-2-8-16(9-3-1)21-25-19-17-10-4-5-11-18(17)27-20(19)22(26-21)24-14-15-7-6-12-23-13-15/h1-13H,14H2,(H,24,25,26)
InChIKeyFRBYEGJZPFGBKQ-UHFFFAOYSA-N
XLogP5.05
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.40
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-phenyl-N-(pyridin-3-ylmethyl)-[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-phenyl-N-(pyridin-3-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-phenyl-N-(pyridin-3-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 666019) is 2-phenyl-N-(pyridin-3-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-phenyl-N-(pyridin-3-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-phenyl-N-(pyridin-3-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is c1ccc(-c2nc(NCc3cccnc3)c3oc4ccccc4c3n2)cc1.
What is the InChIKey of 2-phenyl-N-(pyridin-3-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is FRBYEGJZPFGBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c1-2-8-16(9-3-1)21-25-19-17-10-4-5-11-18(17)27-20(19)22(26-21)24-14-15-7-6-12-23-13-15/h1-13H,14H2,(H,24,25,26).
What are the key properties of 2-phenyl-N-(pyridin-3-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
2-phenyl-N-(pyridin-3-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 352.40 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(pyridin-3-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 666019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).