4,7-dihydro-1H-purine-2,6-diamine

C5H8N6 — CID 131970278

IUPAC4,7-dihydro-1H-purine-2,6-diamine
SMILESNC1=NC2N=CNC2=C(N)N1
InChIInChI=1S/C5H8N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1,4H,6H2,(H,8,9)(H3,7,10,11)
InChIKeySPAYIJFAUABIGA-UHFFFAOYSA-N
MW152.16 g/mol
LogP-2.01
Rot. Bonds

About 4,7-dihydro-1H-purine-2,6-diamine

4,7-dihydro-1H-purine-2,6-diamine (PubChem CID 131970278) has the molecular formula C5H8N6 and a molecular weight of 152.16 g/mol. Its IUPAC name is 4,7-dihydro-1H-purine-2,6-diamine.

Molecular Properties

Compound Name4,7-dihydro-1H-purine-2,6-diamine
PubChem CID131970278
Molecular FormulaC5H8N6
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Name4,7-dihydro-1H-purine-2,6-diamine
SMILESNC1=NC2N=CNC2=C(N)N1
InChIInChI=1S/C5H8N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1,4H,6H2,(H,8,9)(H3,7,10,11)
InChIKeySPAYIJFAUABIGA-UHFFFAOYSA-N
XLogP-2.01
TPSA100.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-2.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4,7-dihydro-1H-purine-2,6-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 4,7-dihydro-1H-purine-2,6-diamine?
The IUPAC name of 4,7-dihydro-1H-purine-2,6-diamine (CID 131970278) is 4,7-dihydro-1H-purine-2,6-diamine.
What is the SMILES notation for 4,7-dihydro-1H-purine-2,6-diamine?
The canonical SMILES for 4,7-dihydro-1H-purine-2,6-diamine is NC1=NC2N=CNC2=C(N)N1.
What is the InChIKey of 4,7-dihydro-1H-purine-2,6-diamine?
The InChIKey is SPAYIJFAUABIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1,4H,6H2,(H,8,9)(H3,7,10,11).
What are the key properties of 4,7-dihydro-1H-purine-2,6-diamine?
4,7-dihydro-1H-purine-2,6-diamine has a molecular weight of 152.16 g/mol, XLogP of -2.01, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dihydro-1H-purine-2,6-diamine is sourced from PubChem (CID 131970278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).