N-benzyl-7-methylpurin-6-amine

C13H13N5 — CID 12693530

IUPACN-benzyl-7-methylpurin-6-amine
SMILESCn1cnc2ncnc(NCc3ccccc3)c21
InChIInChI=1S/C13H13N5/c1-18-9-17-13-11(18)12(15-8-16-13)14-7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,14,15,16)
InChIKeyNUNASNIBPUREFP-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.98
Rot. Bonds3

About N-benzyl-7-methylpurin-6-amine

N-benzyl-7-methylpurin-6-amine (PubChem CID 12693530) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-benzyl-7-methylpurin-6-amine.

Molecular Properties

Compound NameN-benzyl-7-methylpurin-6-amine
PubChem CID12693530
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC NameN-benzyl-7-methylpurin-6-amine
SMILESCn1cnc2ncnc(NCc3ccccc3)c21
InChIInChI=1S/C13H13N5/c1-18-9-17-13-11(18)12(15-8-16-13)14-7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,14,15,16)
InChIKeyNUNASNIBPUREFP-UHFFFAOYSA-N
XLogP1.98
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-7-methylpurin-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-benzyl-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
CID 141034362
N-benzyl-1-methylimidazo[4,5-c]pyridin-4-amine
CID 1400630
N-benzyl-3-methylimidazo[4,5-b]pyridin-5-amine
CID 23298277
N-benzyl-9-[6-[(4-methylphenyl)methylamino]purin-9-yl]purin-6-amine
CID 66780721
N-benzyl-8-(4-phenylphenyl)-7H-purin-6-amine
CID 59408936
N-benzyl-9-heptylpurin-6-amine
CID 71371736
[3-[[(9-methylpurin-6-yl)amino]methyl]phenyl]methanol
CID 154735606
N-benzyl-1,2-dimethylpyrrolo[2,3-c]pyridin-7-amine
CID 67422882
4-N-benzyl-6-methylsulfanylpyrimidine-4,5-diamine
CID 130154555
N-benzyl-2-chloro-7-propan-2-ylpurin-6-amine
CID 82460318
N-benzyl-7H-purin-6-amine;7H-purine
CID 70256184
N-benzyl-9-ethenylpurin-6-amine
CID 14035909

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-methylpurin-6-amine?
The IUPAC name of N-benzyl-7-methylpurin-6-amine (CID 12693530) is N-benzyl-7-methylpurin-6-amine.
What is the SMILES notation for N-benzyl-7-methylpurin-6-amine?
The canonical SMILES for N-benzyl-7-methylpurin-6-amine is Cn1cnc2ncnc(NCc3ccccc3)c21.
What is the InChIKey of N-benzyl-7-methylpurin-6-amine?
The InChIKey is NUNASNIBPUREFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-18-9-17-13-11(18)12(15-8-16-13)14-7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,14,15,16).
What are the key properties of N-benzyl-7-methylpurin-6-amine?
N-benzyl-7-methylpurin-6-amine has a molecular weight of 239.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-methylpurin-6-amine is sourced from PubChem (CID 12693530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).