2-[6-(benzylamino)purin-9-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide

C26H24N6O — CID 44601536

IUPAC2-[6-(benzylamino)purin-9-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1cnc2c(NCc3ccccc3)ncnc21)c1cccc2ccccc12
InChIInChI=1S/C26H24N6O/c1-18(21-13-7-11-20-10-5-6-12-22(20)21)31-23(33)15-32-17-30-24-25(28-16-29-26(24)32)27-14-19-8-3-2-4-9-19/h2-13,16-18H,14-15H2,1H3,(H,31,33)(H,27,28,29)/t18-/m1/s1
InChIKeyNWFLCTPHXRGOAS-GOSISDBHSA-N
MW436.52 g/mol
LogP4.47
Rot. Bonds7

About 2-[6-(benzylamino)purin-9-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide

2-[6-(benzylamino)purin-9-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide (PubChem CID 44601536) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is 2-[6-(benzylamino)purin-9-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-[6-(benzylamino)purin-9-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
PubChem CID44601536
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name2-[6-(benzylamino)purin-9-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1cnc2c(NCc3ccccc3)ncnc21)c1cccc2ccccc12
InChIInChI=1S/C26H24N6O/c1-18(21-13-7-11-20-10-5-6-12-22(20)21)31-23(33)15-32-17-30-24-25(28-16-29-26(24)32)27-14-19-8-3-2-4-9-19/h2-13,16-18H,14-15H2,1H3,(H,31,33)(H,27,28,29)/t18-/m1/s1
InChIKeyNWFLCTPHXRGOAS-GOSISDBHSA-N
XLogP4.47
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[6-(benzylamino)purin-9-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide 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-[6-(benzylamino)purin-9-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide?
The IUPAC name of 2-[6-(benzylamino)purin-9-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide (CID 44601536) is 2-[6-(benzylamino)purin-9-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide.
What is the SMILES notation for 2-[6-(benzylamino)purin-9-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide?
The canonical SMILES for 2-[6-(benzylamino)purin-9-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide is C[C@@H](NC(=O)Cn1cnc2c(NCc3ccccc3)ncnc21)c1cccc2ccccc12.
What is the InChIKey of 2-[6-(benzylamino)purin-9-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide?
The InChIKey is NWFLCTPHXRGOAS-GOSISDBHSA-N. The full InChI is InChI=1S/C26H24N6O/c1-18(21-13-7-11-20-10-5-6-12-22(20)21)31-23(33)15-32-17-30-24-25(28-16-29-26(24)32)27-14-19-8-3-2-4-9-19/h2-13,16-18H,14-15H2,1H3,(H,31,33)(H,27,28,29)/t18-/m1/s1.
What are the key properties of 2-[6-(benzylamino)purin-9-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide?
2-[6-(benzylamino)purin-9-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide has a molecular weight of 436.52 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(benzylamino)purin-9-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide is sourced from PubChem (CID 44601536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).