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

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Related Compounds

2-N-ethyl-9-phenyl-6-N-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine
CID 117093283
6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-ethyl-9-phenylpurine-2,6-diamine
CID 117091747
6-N-benzyl-9-phenyl-2-N-pyridin-3-ylpurine-2,6-diamine
CID 117083688
6-N-benzyl-2-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine
CID 117091551
9-phenyl-6-N-(pyridin-3-ylmethyl)-2-N-pyrimidin-2-ylpurine-2,6-diamine
CID 117080067
9-phenyl-6-N-propyl-2-N-pyrimidin-2-ylpurine-2,6-diamine
CID 117080414
2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589426
3-[[6-(benzylamino)-9-ethylpurin-2-yl]amino]propane-1,2-diol
CID 78323721
2-[[6-(benzylamino)-9-(trideuteriomethyl)purin-2-yl]amino]ethanol
CID 169445059
N-benzyl-2-phenyl-9-thiophen-3-ylpurin-6-amine
CID 117081803
2-N-isoquinolin-1-yl-9-phenyl-6-N-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine
CID 117089309
2-N-(1-benzylpiperidin-4-yl)-9-phenyl-6-N-propylpurine-2,6-diamine
CID 117079494

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).