7-[2-[6-(dimethylamino)purin-9-yl]ethyl]-N,N-dimethylpurin-6-amine

C16H20N10 — CID 46883068

IUPAC7-[2-[6-(dimethylamino)purin-9-yl]ethyl]-N,N-dimethylpurin-6-amine
SMILESCN(C)c1ncnc2c1ncn2CCn1cnc2ncnc(N(C)C)c21
InChIInChI=1S/C16H20N10/c1-23(2)14-11-15(19-8-18-14)26(9-21-11)6-5-25-10-22-13-12(25)16(24(3)4)20-7-17-13/h7-10H,5-6H2,1-4H3
InChIKeyVZXLGLSGBJXZHE-UHFFFAOYSA-N
MW352.41 g/mol
LogP0.80
Rot. Bonds5

About 7-[2-[6-(dimethylamino)purin-9-yl]ethyl]-N,N-dimethylpurin-6-amine

7-[2-[6-(dimethylamino)purin-9-yl]ethyl]-N,N-dimethylpurin-6-amine (PubChem CID 46883068) has the molecular formula C16H20N10 and a molecular weight of 352.41 g/mol. Its IUPAC name is 7-[2-[6-(dimethylamino)purin-9-yl]ethyl]-N,N-dimethylpurin-6-amine.

Molecular Properties

Compound Name7-[2-[6-(dimethylamino)purin-9-yl]ethyl]-N,N-dimethylpurin-6-amine
PubChem CID46883068
Molecular FormulaC16H20N10
Molecular Weight352.41 g/mol
Exact Mass352.19
IUPAC Name7-[2-[6-(dimethylamino)purin-9-yl]ethyl]-N,N-dimethylpurin-6-amine
SMILESCN(C)c1ncnc2c1ncn2CCn1cnc2ncnc(N(C)C)c21
InChIInChI=1S/C16H20N10/c1-23(2)14-11-15(19-8-18-14)26(9-21-11)6-5-25-10-22-13-12(25)16(24(3)4)20-7-17-13/h7-10H,5-6H2,1-4H3
InChIKeyVZXLGLSGBJXZHE-UHFFFAOYSA-N
XLogP0.80
TPSA93.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[6-(dimethylamino)purin-9-yl]ethyl]-N,N-dimethylpurin-6-amine?
The IUPAC name of 7-[2-[6-(dimethylamino)purin-9-yl]ethyl]-N,N-dimethylpurin-6-amine (CID 46883068) is 7-[2-[6-(dimethylamino)purin-9-yl]ethyl]-N,N-dimethylpurin-6-amine.
What is the SMILES notation for 7-[2-[6-(dimethylamino)purin-9-yl]ethyl]-N,N-dimethylpurin-6-amine?
The canonical SMILES for 7-[2-[6-(dimethylamino)purin-9-yl]ethyl]-N,N-dimethylpurin-6-amine is CN(C)c1ncnc2c1ncn2CCn1cnc2ncnc(N(C)C)c21.
What is the InChIKey of 7-[2-[6-(dimethylamino)purin-9-yl]ethyl]-N,N-dimethylpurin-6-amine?
The InChIKey is VZXLGLSGBJXZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N10/c1-23(2)14-11-15(19-8-18-14)26(9-21-11)6-5-25-10-22-13-12(25)16(24(3)4)20-7-17-13/h7-10H,5-6H2,1-4H3.
What are the key properties of 7-[2-[6-(dimethylamino)purin-9-yl]ethyl]-N,N-dimethylpurin-6-amine?
7-[2-[6-(dimethylamino)purin-9-yl]ethyl]-N,N-dimethylpurin-6-amine has a molecular weight of 352.41 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[6-(dimethylamino)purin-9-yl]ethyl]-N,N-dimethylpurin-6-amine is sourced from PubChem (CID 46883068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).