N-[(3-aminophenyl)methyl]-N-methyl-7H-purin-6-amine

C13H14N6 — CID 60877421

IUPACN-[(3-aminophenyl)methyl]-N-methyl-7H-purin-6-amine
SMILESCN(Cc1cccc(N)c1)c1ncnc2nc[nH]c12
InChIInChI=1S/C13H14N6/c1-19(6-9-3-2-4-10(14)5-9)13-11-12(16-7-15-11)17-8-18-13/h2-5,7-8H,6,14H2,1H3,(H,15,16,17,18)
InChIKeyWONRUMYZEZHECA-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.57
Rot. Bonds3

About N-[(3-aminophenyl)methyl]-N-methyl-7H-purin-6-amine

N-[(3-aminophenyl)methyl]-N-methyl-7H-purin-6-amine (PubChem CID 60877421) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-methyl-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-methyl-7H-purin-6-amine
PubChem CID60877421
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC NameN-[(3-aminophenyl)methyl]-N-methyl-7H-purin-6-amine
SMILESCN(Cc1cccc(N)c1)c1ncnc2nc[nH]c12
InChIInChI=1S/C13H14N6/c1-19(6-9-3-2-4-10(14)5-9)13-11-12(16-7-15-11)17-8-18-13/h2-5,7-8H,6,14H2,1H3,(H,15,16,17,18)
InChIKeyWONRUMYZEZHECA-UHFFFAOYSA-N
XLogP1.57
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(3-aminophenyl)methyl]-N-methyl-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

Related Compounds

N-[(3-fluorophenyl)methyl]-N-methyl-7H-purin-6-amine
CID 94145814
6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 115669342
N'-methyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 62593872
3-(7H-purin-6-yl)aniline
CID 71426821
N'-benzyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 61013592
N-[(4-aminophenyl)methyl]-N-cyclopropyl-7H-purin-6-amine
CID 60876484
N-[2-(3-methoxyphenyl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75479729
N-(4-chlorobutyl)-N-methyl-7H-purin-6-amine
CID 13285773
N-[(3-aminophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 55154379
N-[(3-aminophenyl)methyl]-N-methylpyrimidin-4-amine
CID 61253794
N-[(3-cyanophenyl)methyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 51089069
4-N-[(3-chlorophenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80794023

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-methyl-7H-purin-6-amine?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-methyl-7H-purin-6-amine (CID 60877421) is N-[(3-aminophenyl)methyl]-N-methyl-7H-purin-6-amine.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-methyl-7H-purin-6-amine?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-methyl-7H-purin-6-amine is CN(Cc1cccc(N)c1)c1ncnc2nc[nH]c12.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-methyl-7H-purin-6-amine?
The InChIKey is WONRUMYZEZHECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-19(6-9-3-2-4-10(14)5-9)13-11-12(16-7-15-11)17-8-18-13/h2-5,7-8H,6,14H2,1H3,(H,15,16,17,18).
What are the key properties of N-[(3-aminophenyl)methyl]-N-methyl-7H-purin-6-amine?
N-[(3-aminophenyl)methyl]-N-methyl-7H-purin-6-amine has a molecular weight of 254.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-methyl-7H-purin-6-amine is sourced from PubChem (CID 60877421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).