N'-benzyl-N'-(7H-purin-6-yl)ethane-1,2-diamine

C14H16N6 — CID 61013592

IUPACN'-benzyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)c1ncnc2nc[nH]c12
InChIInChI=1S/C14H16N6/c15-6-7-20(8-11-4-2-1-3-5-11)14-12-13(17-9-16-12)18-10-19-14/h1-5,9-10H,6-8,15H2,(H,16,17,18,19)
InChIKeyQGLABSTXFUQZFO-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.32
Rot. Bonds5

About N'-benzyl-N'-(7H-purin-6-yl)ethane-1,2-diamine

N'-benzyl-N'-(7H-purin-6-yl)ethane-1,2-diamine (PubChem CID 61013592) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is N'-benzyl-N'-(7H-purin-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
PubChem CID61013592
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC NameN'-benzyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)c1ncnc2nc[nH]c12
InChIInChI=1S/C14H16N6/c15-6-7-20(8-11-4-2-1-3-5-11)14-12-13(17-9-16-12)18-10-19-14/h1-5,9-10H,6-8,15H2,(H,16,17,18,19)
InChIKeyQGLABSTXFUQZFO-UHFFFAOYSA-N
XLogP1.32
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(7H-purin-6-yl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-(7H-purin-6-yl)ethane-1,2-diamine (CID 61013592) is N'-benzyl-N'-(7H-purin-6-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-(7H-purin-6-yl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-(7H-purin-6-yl)ethane-1,2-diamine is NCCN(Cc1ccccc1)c1ncnc2nc[nH]c12.
What is the InChIKey of N'-benzyl-N'-(7H-purin-6-yl)ethane-1,2-diamine?
The InChIKey is QGLABSTXFUQZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c15-6-7-20(8-11-4-2-1-3-5-11)14-12-13(17-9-16-12)18-10-19-14/h1-5,9-10H,6-8,15H2,(H,16,17,18,19).
What are the key properties of N'-benzyl-N'-(7H-purin-6-yl)ethane-1,2-diamine?
N'-benzyl-N'-(7H-purin-6-yl)ethane-1,2-diamine has a molecular weight of 268.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(7H-purin-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 61013592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).