4-N-methyl-9H-purine-1,4-diamine

C6H10N6 — CID 176532740

IUPAC4-N-methyl-9H-purine-1,4-diamine
SMILESCNC12N=CN(N)C=C1N=CN2
InChIInChI=1S/C6H10N6/c1-8-6-5(9-3-10-6)2-12(7)4-11-6/h2-4,8H,7H2,1H3,(H,9,10)
InChIKeyMYFJSFIOJBWLHA-UHFFFAOYSA-N
MW166.19 g/mol
LogP-1.45
Rot. Bonds1

About 4-N-methyl-9H-purine-1,4-diamine

4-N-methyl-9H-purine-1,4-diamine (PubChem CID 176532740) has the molecular formula C6H10N6 and a molecular weight of 166.19 g/mol. Its IUPAC name is 4-N-methyl-9H-purine-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-9H-purine-1,4-diamine
PubChem CID176532740
Molecular FormulaC6H10N6
Molecular Weight166.19 g/mol
Exact Mass166.10
IUPAC Name4-N-methyl-9H-purine-1,4-diamine
SMILESCNC12N=CN(N)C=C1N=CN2
InChIInChI=1S/C6H10N6/c1-8-6-5(9-3-10-6)2-12(7)4-11-6/h2-4,8H,7H2,1H3,(H,9,10)
InChIKeyMYFJSFIOJBWLHA-UHFFFAOYSA-N
XLogP-1.45
TPSA78.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-9H-purine-1,4-diamine?
The IUPAC name of 4-N-methyl-9H-purine-1,4-diamine (CID 176532740) is 4-N-methyl-9H-purine-1,4-diamine.
What is the SMILES notation for 4-N-methyl-9H-purine-1,4-diamine?
The canonical SMILES for 4-N-methyl-9H-purine-1,4-diamine is CNC12N=CN(N)C=C1N=CN2.
What is the InChIKey of 4-N-methyl-9H-purine-1,4-diamine?
The InChIKey is MYFJSFIOJBWLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6/c1-8-6-5(9-3-10-6)2-12(7)4-11-6/h2-4,8H,7H2,1H3,(H,9,10).
What are the key properties of 4-N-methyl-9H-purine-1,4-diamine?
4-N-methyl-9H-purine-1,4-diamine has a molecular weight of 166.19 g/mol, XLogP of -1.45, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-9H-purine-1,4-diamine is sourced from PubChem (CID 176532740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).