2,3,6,7-tetrahydro-1H-purine-2,6-diamine

C5H10N6 — CID 59682514

IUPAC2,3,6,7-tetrahydro-1H-purine-2,6-diamine
SMILESNC1Nc2nc[nH]c2C(N)N1
InChIInChI=1S/C5H10N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1,3,5,10-11H,6-7H2,(H,8,9)
InChIKeyTXXJCHIRQOAGCE-UHFFFAOYSA-N
MW154.18 g/mol
LogP-1.38
Rot. Bonds

About 2,3,6,7-tetrahydro-1H-purine-2,6-diamine

2,3,6,7-tetrahydro-1H-purine-2,6-diamine (PubChem CID 59682514) has the molecular formula C5H10N6 and a molecular weight of 154.18 g/mol. Its IUPAC name is 2,3,6,7-tetrahydro-1H-purine-2,6-diamine.

Molecular Properties

Compound Name2,3,6,7-tetrahydro-1H-purine-2,6-diamine
PubChem CID59682514
Molecular FormulaC5H10N6
Molecular Weight154.18 g/mol
Exact Mass154.10
IUPAC Name2,3,6,7-tetrahydro-1H-purine-2,6-diamine
SMILESNC1Nc2nc[nH]c2C(N)N1
InChIInChI=1S/C5H10N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1,3,5,10-11H,6-7H2,(H,8,9)
InChIKeyTXXJCHIRQOAGCE-UHFFFAOYSA-N
XLogP-1.38
TPSA104.78 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 5-1.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2,3,6,7-tetrahydro-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 2,3,6,7-tetrahydro-1H-purine-2,6-diamine?
The IUPAC name of 2,3,6,7-tetrahydro-1H-purine-2,6-diamine (CID 59682514) is 2,3,6,7-tetrahydro-1H-purine-2,6-diamine.
What is the SMILES notation for 2,3,6,7-tetrahydro-1H-purine-2,6-diamine?
The canonical SMILES for 2,3,6,7-tetrahydro-1H-purine-2,6-diamine is NC1Nc2nc[nH]c2C(N)N1.
What is the InChIKey of 2,3,6,7-tetrahydro-1H-purine-2,6-diamine?
The InChIKey is TXXJCHIRQOAGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1,3,5,10-11H,6-7H2,(H,8,9).
What are the key properties of 2,3,6,7-tetrahydro-1H-purine-2,6-diamine?
2,3,6,7-tetrahydro-1H-purine-2,6-diamine has a molecular weight of 154.18 g/mol, XLogP of -1.38, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetrahydro-1H-purine-2,6-diamine is sourced from PubChem (CID 59682514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).