9-N-amino-9-N-(methylamino)purine-2,6,9-triamine

C6H11N9 — CID 170001265

IUPAC9-N-amino-9-N-(methylamino)purine-2,6,9-triamine
SMILESCNN(N)n1cnc2c(N)nc(N)nc21
InChIInChI=1S/C6H11N9/c1-10-15(9)14-2-11-3-4(7)12-6(8)13-5(3)14/h2,10H,9H2,1H3,(H4,7,8,12,13)
InChIKeyQWIXLUOJHJSSMS-UHFFFAOYSA-N
MW209.22 g/mol
LogP-2.06
Rot. Bonds2

About 9-N-amino-9-N-(methylamino)purine-2,6,9-triamine

9-N-amino-9-N-(methylamino)purine-2,6,9-triamine (PubChem CID 170001265) has the molecular formula C6H11N9 and a molecular weight of 209.22 g/mol. Its IUPAC name is 9-N-amino-9-N-(methylamino)purine-2,6,9-triamine.

Molecular Properties

Compound Name9-N-amino-9-N-(methylamino)purine-2,6,9-triamine
PubChem CID170001265
Molecular FormulaC6H11N9
Molecular Weight209.22 g/mol
Exact Mass209.11
IUPAC Name9-N-amino-9-N-(methylamino)purine-2,6,9-triamine
SMILESCNN(N)n1cnc2c(N)nc(N)nc21
InChIInChI=1S/C6H11N9/c1-10-15(9)14-2-11-3-4(7)12-6(8)13-5(3)14/h2,10H,9H2,1H3,(H4,7,8,12,13)
InChIKeyQWIXLUOJHJSSMS-UHFFFAOYSA-N
XLogP-2.06
TPSA136.93 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 5-2.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 9-N-amino-9-N-(methylamino)purine-2,6,9-triamine with MolForge

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

Launch Full Analysis

Related Compounds

9-[(1R)-1-(methylamino)ethyl]purine-2,6-diamine
CID 146232455
9-(1-aminoethyl)purine-2,6-diamine
CID 166965678
cyclopropane;9-methylpurine-2,6-diamine
CID 142265839
trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol
CID 73050804
9-propylpurine-2,6-diamine;dihydrochloride
CID 141031131
1-[3-(2,6-diaminopurin-9-yl)-2-(1-hydroxyethyl)cyclobutyl]ethanol
CID 21145493
(1S,4R)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-ol
CID 57488425
(2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol
CID 70039769
(1R,2R,6R)-2-(2,6-diaminopurin-9-yl)-6-(methylamino)cyclohexan-1-ol
CID 110129701
9-phenylpurine-2,6-diamine;dihydrochloride
CID 141031122
[(1R,4S)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 10243640
2-[(2,6-diaminopurin-9-yl)methyl]propane-1,3-diol
CID 15516211

Frequently Asked Questions

What is the IUPAC name of 9-N-amino-9-N-(methylamino)purine-2,6,9-triamine?
The IUPAC name of 9-N-amino-9-N-(methylamino)purine-2,6,9-triamine (CID 170001265) is 9-N-amino-9-N-(methylamino)purine-2,6,9-triamine.
What is the SMILES notation for 9-N-amino-9-N-(methylamino)purine-2,6,9-triamine?
The canonical SMILES for 9-N-amino-9-N-(methylamino)purine-2,6,9-triamine is CNN(N)n1cnc2c(N)nc(N)nc21.
What is the InChIKey of 9-N-amino-9-N-(methylamino)purine-2,6,9-triamine?
The InChIKey is QWIXLUOJHJSSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N9/c1-10-15(9)14-2-11-3-4(7)12-6(8)13-5(3)14/h2,10H,9H2,1H3,(H4,7,8,12,13).
What are the key properties of 9-N-amino-9-N-(methylamino)purine-2,6,9-triamine?
9-N-amino-9-N-(methylamino)purine-2,6,9-triamine has a molecular weight of 209.22 g/mol, XLogP of -2.06, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N-amino-9-N-(methylamino)purine-2,6,9-triamine is sourced from PubChem (CID 170001265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).