2-(7H-purin-8-yl)ethanamine

C7H9N5 — CID 83671812

IUPAC2-(7H-purin-8-yl)ethanamine
SMILESNCCc1nc2ncncc2[nH]1
InChIInChI=1S/C7H9N5/c8-2-1-6-11-5-3-9-4-10-7(5)12-6/h3-4H,1-2,8H2,(H,9,10,11,12)
InChIKeyPMJGALOFTHPXTH-UHFFFAOYSA-N
MW163.18 g/mol
LogP-0.15
Rot. Bonds2

About 2-(7H-purin-8-yl)ethanamine

2-(7H-purin-8-yl)ethanamine (PubChem CID 83671812) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-(7H-purin-8-yl)ethanamine.

Molecular Properties

Compound Name2-(7H-purin-8-yl)ethanamine
PubChem CID83671812
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name2-(7H-purin-8-yl)ethanamine
SMILESNCCc1nc2ncncc2[nH]1
InChIInChI=1S/C7H9N5/c8-2-1-6-11-5-3-9-4-10-7(5)12-6/h3-4H,1-2,8H2,(H,9,10,11,12)
InChIKeyPMJGALOFTHPXTH-UHFFFAOYSA-N
XLogP-0.15
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(7H-purin-8-yl)ethanamine 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

6-(7H-purin-8-yl)hexan-1-amine
CID 114402076
3-(7H-purin-8-yl)propanoic acid
CID 83671901
2-(7H-purin-8-yl)acetaldehyde
CID 54084471
8-(3-phenylpropyl)-7H-purine
CID 114402499
2-[4-(7H-purin-8-yl)phenyl]ethanamine
CID 114401958
8-(ethoxymethyl)-7H-purine
CID 114402549
2-methyl-N-[2-(7H-purin-8-yl)ethyl]aniline
CID 114402115
1,1,1-trifluoro-3-(7H-purin-8-yl)propan-2-ol
CID 114403043
N-methyl-1-(7H-purin-8-ylmethyl)cyclohexan-1-amine
CID 114401934
8-(1-adamantylmethyl)-7H-purine
CID 114402654
tert-butyl-dimethyl-(7H-purin-8-ylmethoxy)silane
CID 18931509
8-[(3,4-dichlorophenyl)methyl]-7H-purine
CID 114402573

Frequently Asked Questions

What is the IUPAC name of 2-(7H-purin-8-yl)ethanamine?
The IUPAC name of 2-(7H-purin-8-yl)ethanamine (CID 83671812) is 2-(7H-purin-8-yl)ethanamine.
What is the SMILES notation for 2-(7H-purin-8-yl)ethanamine?
The canonical SMILES for 2-(7H-purin-8-yl)ethanamine is NCCc1nc2ncncc2[nH]1.
What is the InChIKey of 2-(7H-purin-8-yl)ethanamine?
The InChIKey is PMJGALOFTHPXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c8-2-1-6-11-5-3-9-4-10-7(5)12-6/h3-4H,1-2,8H2,(H,9,10,11,12).
What are the key properties of 2-(7H-purin-8-yl)ethanamine?
2-(7H-purin-8-yl)ethanamine has a molecular weight of 163.18 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7H-purin-8-yl)ethanamine is sourced from PubChem (CID 83671812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).