8-N-(1-aminoprop-2-enyl)-7H-purine-6,8-diamine

C8H11N7 — CID 70041180

IUPAC8-N-(1-aminoprop-2-enyl)-7H-purine-6,8-diamine
SMILESC=CC(N)Nc1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C8H11N7/c1-2-4(9)13-8-14-5-6(10)11-3-12-7(5)15-8/h2-4H,1,9H2,(H4,10,11,12,13,14,15)
InChIKeyYFOAQNPRMHMWSZ-UHFFFAOYSA-N
MW205.23 g/mol
LogP-0.18
Rot. Bonds3

About 8-N-(1-aminoprop-2-enyl)-7H-purine-6,8-diamine

8-N-(1-aminoprop-2-enyl)-7H-purine-6,8-diamine (PubChem CID 70041180) has the molecular formula C8H11N7 and a molecular weight of 205.23 g/mol. Its IUPAC name is 8-N-(1-aminoprop-2-enyl)-7H-purine-6,8-diamine.

Molecular Properties

Compound Name8-N-(1-aminoprop-2-enyl)-7H-purine-6,8-diamine
PubChem CID70041180
Molecular FormulaC8H11N7
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Name8-N-(1-aminoprop-2-enyl)-7H-purine-6,8-diamine
SMILESC=CC(N)Nc1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C8H11N7/c1-2-4(9)13-8-14-5-6(10)11-3-12-7(5)15-8/h2-4H,1,9H2,(H4,10,11,12,13,14,15)
InChIKeyYFOAQNPRMHMWSZ-UHFFFAOYSA-N
XLogP-0.18
TPSA118.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 8-N-(1-aminoprop-2-enyl)-7H-purine-6,8-diamine 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 8-N-(1-aminoprop-2-enyl)-7H-purine-6,8-diamine?
The IUPAC name of 8-N-(1-aminoprop-2-enyl)-7H-purine-6,8-diamine (CID 70041180) is 8-N-(1-aminoprop-2-enyl)-7H-purine-6,8-diamine.
What is the SMILES notation for 8-N-(1-aminoprop-2-enyl)-7H-purine-6,8-diamine?
The canonical SMILES for 8-N-(1-aminoprop-2-enyl)-7H-purine-6,8-diamine is C=CC(N)Nc1nc2ncnc(N)c2[nH]1.
What is the InChIKey of 8-N-(1-aminoprop-2-enyl)-7H-purine-6,8-diamine?
The InChIKey is YFOAQNPRMHMWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7/c1-2-4(9)13-8-14-5-6(10)11-3-12-7(5)15-8/h2-4H,1,9H2,(H4,10,11,12,13,14,15).
What are the key properties of 8-N-(1-aminoprop-2-enyl)-7H-purine-6,8-diamine?
8-N-(1-aminoprop-2-enyl)-7H-purine-6,8-diamine has a molecular weight of 205.23 g/mol, XLogP of -0.18, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(1-aminoprop-2-enyl)-7H-purine-6,8-diamine is sourced from PubChem (CID 70041180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).