N-(propan-2-ylideneamino)-7H-purin-6-amine

C8H10N6 — CID 520491

IUPACN-(propan-2-ylideneamino)-7H-purin-6-amine
SMILESCC(C)=NNc1ncnc2nc[nH]c12
InChIInChI=1S/C8H10N6/c1-5(2)13-14-8-6-7(10-3-9-6)11-4-12-8/h3-4H,1-2H3,(H2,9,10,11,12,14)
InChIKeyXFVMXPHMLRAJJB-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.16
Rot. Bonds2

About N-(propan-2-ylideneamino)-7H-purin-6-amine

N-(propan-2-ylideneamino)-7H-purin-6-amine (PubChem CID 520491) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is N-(propan-2-ylideneamino)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(propan-2-ylideneamino)-7H-purin-6-amine
PubChem CID520491
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC NameN-(propan-2-ylideneamino)-7H-purin-6-amine
SMILESCC(C)=NNc1ncnc2nc[nH]c12
InChIInChI=1S/C8H10N6/c1-5(2)13-14-8-6-7(10-3-9-6)11-4-12-8/h3-4H,1-2H3,(H2,9,10,11,12,14)
InChIKeyXFVMXPHMLRAJJB-UHFFFAOYSA-N
XLogP1.16
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(propan-2-ylideneamino)-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

Frequently Asked Questions

What is the IUPAC name of N-(propan-2-ylideneamino)-7H-purin-6-amine?
The IUPAC name of N-(propan-2-ylideneamino)-7H-purin-6-amine (CID 520491) is N-(propan-2-ylideneamino)-7H-purin-6-amine.
What is the SMILES notation for N-(propan-2-ylideneamino)-7H-purin-6-amine?
The canonical SMILES for N-(propan-2-ylideneamino)-7H-purin-6-amine is CC(C)=NNc1ncnc2nc[nH]c12.
What is the InChIKey of N-(propan-2-ylideneamino)-7H-purin-6-amine?
The InChIKey is XFVMXPHMLRAJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6/c1-5(2)13-14-8-6-7(10-3-9-6)11-4-12-8/h3-4H,1-2H3,(H2,9,10,11,12,14).
What are the key properties of N-(propan-2-ylideneamino)-7H-purin-6-amine?
N-(propan-2-ylideneamino)-7H-purin-6-amine has a molecular weight of 190.21 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylideneamino)-7H-purin-6-amine is sourced from PubChem (CID 520491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).