(7-pyrimidin-2-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl)methanamine

C17H15N3O — CID 118759553

IUPAC(7-pyrimidin-2-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl)methanamine
SMILESNCC1Cc2c(ccc3cc(-c4ncccn4)ccc23)O1
InChIInChI=1S/C17H15N3O/c18-10-13-9-15-14-4-2-12(17-19-6-1-7-20-17)8-11(14)3-5-16(15)21-13/h1-8,13H,9-10,18H2
InChIKeyGPXIULSJSNTBHF-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.56
Rot. Bonds2

About (7-pyrimidin-2-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl)methanamine

(7-pyrimidin-2-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl)methanamine (PubChem CID 118759553) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is (7-pyrimidin-2-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(7-pyrimidin-2-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl)methanamine
PubChem CID118759553
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name(7-pyrimidin-2-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl)methanamine
SMILESNCC1Cc2c(ccc3cc(-c4ncccn4)ccc23)O1
InChIInChI=1S/C17H15N3O/c18-10-13-9-15-14-4-2-12(17-19-6-1-7-20-17)8-11(14)3-5-16(15)21-13/h1-8,13H,9-10,18H2
InChIKeyGPXIULSJSNTBHF-UHFFFAOYSA-N
XLogP2.56
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7-pyrimidin-2-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl)methanamine 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 (7-pyrimidin-2-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl)methanamine?
The IUPAC name of (7-pyrimidin-2-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl)methanamine (CID 118759553) is (7-pyrimidin-2-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl)methanamine.
What is the SMILES notation for (7-pyrimidin-2-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl)methanamine?
The canonical SMILES for (7-pyrimidin-2-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl)methanamine is NCC1Cc2c(ccc3cc(-c4ncccn4)ccc23)O1.
What is the InChIKey of (7-pyrimidin-2-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl)methanamine?
The InChIKey is GPXIULSJSNTBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-10-13-9-15-14-4-2-12(17-19-6-1-7-20-17)8-11(14)3-5-16(15)21-13/h1-8,13H,9-10,18H2.
What are the key properties of (7-pyrimidin-2-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl)methanamine?
(7-pyrimidin-2-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl)methanamine has a molecular weight of 277.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-pyrimidin-2-yl-1,2-dihydrobenzo[e][1]benzofuran-2-yl)methanamine is sourced from PubChem (CID 118759553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).