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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-(2-methoxyethyl)-7H-purin-6-amine
CID 86803034
N-benzyl-N-[(2,6-dichlorophenyl)methyl]-7H-purin-6-amine
CID 1115257
N'-(2-methylpropyl)-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 55091105
N'-methyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 62593872
2-[(2-amino-7H-purin-6-yl)-benzylamino]ethanol
CID 114784943
N'-benzyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 62831676
2-[7H-purin-6-yl(thiophen-3-ylmethyl)amino]ethanol
CID 133403413
N-[(3-aminophenyl)methyl]-N-methyl-7H-purin-6-amine
CID 60877421
N'-benzyl-N'-methyl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 756726
N'-benzyl-N'-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 61013957
N'-benzyl-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 62255300
N'-benzyl-N'-(3-bromo-2-pyridinyl)ethane-1,2-diamine
CID 61375800

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).