3-[(2-amino-7H-purin-6-yl)amino]propan-1-ol

C8H12N6O — CID 104623125

IUPAC3-[(2-amino-7H-purin-6-yl)amino]propan-1-ol
SMILESNc1nc(NCCCO)c2[nH]cnc2n1
InChIInChI=1S/C8H12N6O/c9-8-13-6(10-2-1-3-15)5-7(14-8)12-4-11-5/h4,15H,1-3H2,(H4,9,10,11,12,13,14)
InChIKeyIQLVUCUSLLDXFW-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.27
Rot. Bonds4

About 3-[(2-amino-7H-purin-6-yl)amino]propan-1-ol

3-[(2-amino-7H-purin-6-yl)amino]propan-1-ol (PubChem CID 104623125) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-[(2-amino-7H-purin-6-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-amino-7H-purin-6-yl)amino]propan-1-ol
PubChem CID104623125
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name3-[(2-amino-7H-purin-6-yl)amino]propan-1-ol
SMILESNc1nc(NCCCO)c2[nH]cnc2n1
InChIInChI=1S/C8H12N6O/c9-8-13-6(10-2-1-3-15)5-7(14-8)12-4-11-5/h4,15H,1-3H2,(H4,9,10,11,12,13,14)
InChIKeyIQLVUCUSLLDXFW-UHFFFAOYSA-N
XLogP-0.27
TPSA112.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(2-amino-7H-purin-6-yl)amino]propan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-7H-purin-6-yl)amino]propan-1-ol?
The IUPAC name of 3-[(2-amino-7H-purin-6-yl)amino]propan-1-ol (CID 104623125) is 3-[(2-amino-7H-purin-6-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(2-amino-7H-purin-6-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(2-amino-7H-purin-6-yl)amino]propan-1-ol is Nc1nc(NCCCO)c2[nH]cnc2n1.
What is the InChIKey of 3-[(2-amino-7H-purin-6-yl)amino]propan-1-ol?
The InChIKey is IQLVUCUSLLDXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c9-8-13-6(10-2-1-3-15)5-7(14-8)12-4-11-5/h4,15H,1-3H2,(H4,9,10,11,12,13,14).
What are the key properties of 3-[(2-amino-7H-purin-6-yl)amino]propan-1-ol?
3-[(2-amino-7H-purin-6-yl)amino]propan-1-ol has a molecular weight of 208.22 g/mol, XLogP of -0.27, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-7H-purin-6-yl)amino]propan-1-ol is sourced from PubChem (CID 104623125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).