8-(2-phenylethyl)-2-phenylmethoxypteridin-7-one

C21H18N4O2 — CID 3233211

IUPAC8-(2-phenylethyl)-2-phenylmethoxypteridin-7-one
SMILESO=c1cnc2cnc(OCc3ccccc3)nc2n1CCc1ccccc1
InChIInChI=1S/C21H18N4O2/c26-19-14-22-18-13-23-21(27-15-17-9-5-2-6-10-17)24-20(18)25(19)12-11-16-7-3-1-4-8-16/h1-10,13-14H,11-12,15H2
InChIKeyAXVMPJZAGPZGCJ-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.01
Rot. Bonds6

About 8-(2-phenylethyl)-2-phenylmethoxypteridin-7-one

8-(2-phenylethyl)-2-phenylmethoxypteridin-7-one (PubChem CID 3233211) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 8-(2-phenylethyl)-2-phenylmethoxypteridin-7-one.

Molecular Properties

Compound Name8-(2-phenylethyl)-2-phenylmethoxypteridin-7-one
PubChem CID3233211
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name8-(2-phenylethyl)-2-phenylmethoxypteridin-7-one
SMILESO=c1cnc2cnc(OCc3ccccc3)nc2n1CCc1ccccc1
InChIInChI=1S/C21H18N4O2/c26-19-14-22-18-13-23-21(27-15-17-9-5-2-6-10-17)24-20(18)25(19)12-11-16-7-3-1-4-8-16/h1-10,13-14H,11-12,15H2
InChIKeyAXVMPJZAGPZGCJ-UHFFFAOYSA-N
XLogP3.01
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(2-phenylethyl)-2-phenylmethoxypteridin-7-one 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 8-(2-phenylethyl)-2-phenylmethoxypteridin-7-one?
The IUPAC name of 8-(2-phenylethyl)-2-phenylmethoxypteridin-7-one (CID 3233211) is 8-(2-phenylethyl)-2-phenylmethoxypteridin-7-one.
What is the SMILES notation for 8-(2-phenylethyl)-2-phenylmethoxypteridin-7-one?
The canonical SMILES for 8-(2-phenylethyl)-2-phenylmethoxypteridin-7-one is O=c1cnc2cnc(OCc3ccccc3)nc2n1CCc1ccccc1.
What is the InChIKey of 8-(2-phenylethyl)-2-phenylmethoxypteridin-7-one?
The InChIKey is AXVMPJZAGPZGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c26-19-14-22-18-13-23-21(27-15-17-9-5-2-6-10-17)24-20(18)25(19)12-11-16-7-3-1-4-8-16/h1-10,13-14H,11-12,15H2.
What are the key properties of 8-(2-phenylethyl)-2-phenylmethoxypteridin-7-one?
8-(2-phenylethyl)-2-phenylmethoxypteridin-7-one has a molecular weight of 358.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-phenylethyl)-2-phenylmethoxypteridin-7-one is sourced from PubChem (CID 3233211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).