6-N-benzyl-2-N-ethyl-9-phenylpurine-2,6-diamine

C20H20N6 — CID 117091533

IUPAC6-N-benzyl-2-N-ethyl-9-phenylpurine-2,6-diamine
SMILESCCNc1nc(NCc2ccccc2)c2ncn(-c3ccccc3)c2n1
InChIInChI=1S/C20H20N6/c1-2-21-20-24-18(22-13-15-9-5-3-6-10-15)17-19(25-20)26(14-23-17)16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3,(H2,21,22,24,25)
InChIKeyZGEJWZSGOJHGSX-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.86
Rot. Bonds6

About 6-N-benzyl-2-N-ethyl-9-phenylpurine-2,6-diamine

6-N-benzyl-2-N-ethyl-9-phenylpurine-2,6-diamine (PubChem CID 117091533) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-N-benzyl-2-N-ethyl-9-phenylpurine-2,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-2-N-ethyl-9-phenylpurine-2,6-diamine
PubChem CID117091533
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name6-N-benzyl-2-N-ethyl-9-phenylpurine-2,6-diamine
SMILESCCNc1nc(NCc2ccccc2)c2ncn(-c3ccccc3)c2n1
InChIInChI=1S/C20H20N6/c1-2-21-20-24-18(22-13-15-9-5-3-6-10-15)17-19(25-20)26(14-23-17)16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3,(H2,21,22,24,25)
InChIKeyZGEJWZSGOJHGSX-UHFFFAOYSA-N
XLogP3.86
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-benzyl-2-N-ethyl-9-phenylpurine-2,6-diamine 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 6-N-benzyl-2-N-ethyl-9-phenylpurine-2,6-diamine?
The IUPAC name of 6-N-benzyl-2-N-ethyl-9-phenylpurine-2,6-diamine (CID 117091533) is 6-N-benzyl-2-N-ethyl-9-phenylpurine-2,6-diamine.
What is the SMILES notation for 6-N-benzyl-2-N-ethyl-9-phenylpurine-2,6-diamine?
The canonical SMILES for 6-N-benzyl-2-N-ethyl-9-phenylpurine-2,6-diamine is CCNc1nc(NCc2ccccc2)c2ncn(-c3ccccc3)c2n1.
What is the InChIKey of 6-N-benzyl-2-N-ethyl-9-phenylpurine-2,6-diamine?
The InChIKey is ZGEJWZSGOJHGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-2-21-20-24-18(22-13-15-9-5-3-6-10-15)17-19(25-20)26(14-23-17)16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3,(H2,21,22,24,25).
What are the key properties of 6-N-benzyl-2-N-ethyl-9-phenylpurine-2,6-diamine?
6-N-benzyl-2-N-ethyl-9-phenylpurine-2,6-diamine has a molecular weight of 344.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-2-N-ethyl-9-phenylpurine-2,6-diamine is sourced from PubChem (CID 117091533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).