7H-purin-6-amine

C5H5N5 — CID 190

💊View drug profile → adenine
IUPAC7H-purin-6-amine
SMILESNc1ncnc2nc[nH]c12
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.06
Rot. Bonds

About 7H-purin-6-amine

7H-purin-6-amine (PubChem CID 190) has the molecular formula C5H5N5 and a molecular weight of 135.13 g/mol. Its IUPAC name is 7H-purin-6-amine.

Molecular Properties

Compound Name7H-purin-6-amine
PubChem CID190
Molecular FormulaC5H5N5
Molecular Weight135.13 g/mol
Exact Mass135.05
IUPAC Name7H-purin-6-amine
SMILESNc1ncnc2nc[nH]c12
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-N
XLogP-0.06
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7H-purin-6-amine 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

2,6-Diaminopurine
CID 30976
2-Aminopurine
CID 9955
Purine
CID 1044
6-Chloropurine
CID 5359277
Isopentenyladenine
CID 92180
6-Hydroxyaminopurine
CID 21876
3H-1,2,3-Triazolo(4,5-d)pyrimidin-7-amine
CID 70746
6-Dimethylaminopurine
CID 3134
N6-Methyladenine
CID 67955
2-Fluoroadenine
CID 12790
6-Methylpurine
CID 5287547
6-Methylmercaptopurine
CID 5778

Frequently Asked Questions

What is the IUPAC name of 7H-purin-6-amine?
The IUPAC name of 7H-purin-6-amine (CID 190) is 7H-purin-6-amine.
What is the SMILES notation for 7H-purin-6-amine?
The canonical SMILES for 7H-purin-6-amine is Nc1ncnc2nc[nH]c12.
What is the InChIKey of 7H-purin-6-amine?
The InChIKey is GFFGJBXGBJISGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10).
What are the key properties of 7H-purin-6-amine?
7H-purin-6-amine has a molecular weight of 135.13 g/mol, XLogP of -0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-purin-6-amine is sourced from PubChem (CID 190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).