6-N-benzyl-9-phenyl-2-N-pyridin-3-ylpurine-2,6-diamine

C23H19N7 — CID 117083688

IUPAC6-N-benzyl-9-phenyl-2-N-pyridin-3-ylpurine-2,6-diamine
SMILESc1ccc(CNc2nc(Nc3cccnc3)nc3c2ncn3-c2ccccc2)cc1
InChIInChI=1S/C23H19N7/c1-3-8-17(9-4-1)14-25-21-20-22(30(16-26-20)19-11-5-2-6-12-19)29-23(28-21)27-18-10-7-13-24-15-18/h1-13,15-16H,14H2,(H2,25,27,28,29)
InChIKeyVUCBRNDIBCHHNX-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.57
Rot. Bonds6

About 6-N-benzyl-9-phenyl-2-N-pyridin-3-ylpurine-2,6-diamine

6-N-benzyl-9-phenyl-2-N-pyridin-3-ylpurine-2,6-diamine (PubChem CID 117083688) has the molecular formula C23H19N7 and a molecular weight of 393.45 g/mol. Its IUPAC name is 6-N-benzyl-9-phenyl-2-N-pyridin-3-ylpurine-2,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-9-phenyl-2-N-pyridin-3-ylpurine-2,6-diamine
PubChem CID117083688
Molecular FormulaC23H19N7
Molecular Weight393.45 g/mol
Exact Mass393.17
IUPAC Name6-N-benzyl-9-phenyl-2-N-pyridin-3-ylpurine-2,6-diamine
SMILESc1ccc(CNc2nc(Nc3cccnc3)nc3c2ncn3-c2ccccc2)cc1
InChIInChI=1S/C23H19N7/c1-3-8-17(9-4-1)14-25-21-20-22(30(16-26-20)19-11-5-2-6-12-19)29-23(28-21)27-18-10-7-13-24-15-18/h1-13,15-16H,14H2,(H2,25,27,28,29)
InChIKeyVUCBRNDIBCHHNX-UHFFFAOYSA-N
XLogP4.57
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

9-phenyl-6-N-(pyridin-3-ylmethyl)-2-N-pyrimidin-2-ylpurine-2,6-diamine
CID 117080067
6-N-benzyl-2-N-ethyl-9-phenylpurine-2,6-diamine
CID 117091533
9-phenyl-2-N-quinolin-6-yl-6-N-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine
CID 117086378
1-[3-[[9-phenyl-2-(pyridin-3-ylmethylamino)purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117092103
2-(1-benzothiophen-3-yl)-9-phenyl-N-(pyridin-3-ylmethyl)purin-6-amine
CID 117091216
6-N-benzyl-2-N-(2-morpholin-4-ylethyl)-9-phenylpurine-2,6-diamine
CID 117091551
2-N-isoquinolin-1-yl-9-phenyl-6-N-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine
CID 117089309
9-phenyl-6-N-propyl-2-N-pyrimidin-2-ylpurine-2,6-diamine
CID 117080414
6-N-benzyl-9-cyclohexyl-2-N-pyrazin-2-ylpurine-2,6-diamine
CID 117093752
6-N-(1H-benzimidazol-2-ylmethyl)-2-N-(pyridin-3-ylmethyl)-9-thiophen-3-ylpurine-2,6-diamine
CID 117089901
2-N-ethyl-9-phenyl-6-N-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine
CID 117093283
N-benzylpyridin-3-amine;dihydrochloride
CID 71432393

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-9-phenyl-2-N-pyridin-3-ylpurine-2,6-diamine?
The IUPAC name of 6-N-benzyl-9-phenyl-2-N-pyridin-3-ylpurine-2,6-diamine (CID 117083688) is 6-N-benzyl-9-phenyl-2-N-pyridin-3-ylpurine-2,6-diamine.
What is the SMILES notation for 6-N-benzyl-9-phenyl-2-N-pyridin-3-ylpurine-2,6-diamine?
The canonical SMILES for 6-N-benzyl-9-phenyl-2-N-pyridin-3-ylpurine-2,6-diamine is c1ccc(CNc2nc(Nc3cccnc3)nc3c2ncn3-c2ccccc2)cc1.
What is the InChIKey of 6-N-benzyl-9-phenyl-2-N-pyridin-3-ylpurine-2,6-diamine?
The InChIKey is VUCBRNDIBCHHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7/c1-3-8-17(9-4-1)14-25-21-20-22(30(16-26-20)19-11-5-2-6-12-19)29-23(28-21)27-18-10-7-13-24-15-18/h1-13,15-16H,14H2,(H2,25,27,28,29).
What are the key properties of 6-N-benzyl-9-phenyl-2-N-pyridin-3-ylpurine-2,6-diamine?
6-N-benzyl-9-phenyl-2-N-pyridin-3-ylpurine-2,6-diamine has a molecular weight of 393.45 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-9-phenyl-2-N-pyridin-3-ylpurine-2,6-diamine is sourced from PubChem (CID 117083688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).