N,8-diphenyl-7H-purin-6-amine

C17H13N5 — CID 46894037

IUPACN,8-diphenyl-7H-purin-6-amine
SMILESc1ccc(Nc2ncnc3nc(-c4ccccc4)[nH]c23)cc1
InChIInChI=1S/C17H13N5/c1-3-7-12(8-4-1)15-21-14-16(18-11-19-17(14)22-15)20-13-9-5-2-6-10-13/h1-11H,(H2,18,19,20,21,22)
InChIKeyOKZNIBWRMMFNQY-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.76
Rot. Bonds3

About N,8-diphenyl-7H-purin-6-amine

N,8-diphenyl-7H-purin-6-amine (PubChem CID 46894037) has the molecular formula C17H13N5 and a molecular weight of 287.33 g/mol. Its IUPAC name is N,8-diphenyl-7H-purin-6-amine.

Molecular Properties

Compound NameN,8-diphenyl-7H-purin-6-amine
PubChem CID46894037
Molecular FormulaC17H13N5
Molecular Weight287.33 g/mol
Exact Mass287.12
IUPAC NameN,8-diphenyl-7H-purin-6-amine
SMILESc1ccc(Nc2ncnc3nc(-c4ccccc4)[nH]c23)cc1
InChIInChI=1S/C17H13N5/c1-3-7-12(8-4-1)15-21-14-16(18-11-19-17(14)22-15)20-13-9-5-2-6-10-13/h1-11H,(H2,18,19,20,21,22)
InChIKeyOKZNIBWRMMFNQY-UHFFFAOYSA-N
XLogP3.76
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Benzylaminopurine
CID 62389
2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Lerisetron
CID 65997
Bendazol
CID 12132
Mavorixafor
CID 11256587
2-Phenylbenzimidazole
CID 12855
6-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 10297043
1H-Benzimidazol-6-amine, 2-(4-aminophenyl)-
CID 24260
2-(pyridin-3-yl)-1H-1,3-benzodiazole
CID 247635
PF-4708671
CID 51371303
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
CID 5025739

Frequently Asked Questions

What is the IUPAC name of N,8-diphenyl-7H-purin-6-amine?
The IUPAC name of N,8-diphenyl-7H-purin-6-amine (CID 46894037) is N,8-diphenyl-7H-purin-6-amine.
What is the SMILES notation for N,8-diphenyl-7H-purin-6-amine?
The canonical SMILES for N,8-diphenyl-7H-purin-6-amine is c1ccc(Nc2ncnc3nc(-c4ccccc4)[nH]c23)cc1.
What is the InChIKey of N,8-diphenyl-7H-purin-6-amine?
The InChIKey is OKZNIBWRMMFNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5/c1-3-7-12(8-4-1)15-21-14-16(18-11-19-17(14)22-15)20-13-9-5-2-6-10-13/h1-11H,(H2,18,19,20,21,22).
What are the key properties of N,8-diphenyl-7H-purin-6-amine?
N,8-diphenyl-7H-purin-6-amine has a molecular weight of 287.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-diphenyl-7H-purin-6-amine is sourced from PubChem (CID 46894037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).