2-benzyl-7H-purin-6-amine

C12H11N5 — CID 15986830

IUPAC2-benzyl-7H-purin-6-amine
SMILESNc1nc(Cc2ccccc2)nc2nc[nH]c12
InChIInChI=1S/C12H11N5/c13-11-10-12(15-7-14-10)17-9(16-11)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)
InChIKeyLHPVTMAMEMZFIJ-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.53
Rot. Bonds2

About 2-benzyl-7H-purin-6-amine

2-benzyl-7H-purin-6-amine (PubChem CID 15986830) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-benzyl-7H-purin-6-amine.

Molecular Properties

Compound Name2-benzyl-7H-purin-6-amine
PubChem CID15986830
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC Name2-benzyl-7H-purin-6-amine
SMILESNc1nc(Cc2ccccc2)nc2nc[nH]c12
InChIInChI=1S/C12H11N5/c13-11-10-12(15-7-14-10)17-9(16-11)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)
InChIKeyLHPVTMAMEMZFIJ-UHFFFAOYSA-N
XLogP1.53
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-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

4-[(6-amino-7H-purin-2-yl)methyl]benzenethiol
CID 139889521
2-[(6-chloro-3-pyridinyl)methyl]-7H-purin-6-amine
CID 141058722
2-benzyl-N-tert-butyl-7H-purin-6-amine
CID 23106936
2-ethyl-7H-purin-6-amine
CID 19795383
1-(6-amino-7H-purin-2-yl)-3-phenoxypropan-2-ol
CID 155490354
2-phenylsulfanyl-7H-purin-6-amine
CID 69289751
2-(2,2,3,3,3-pentafluoropropyl)-7H-purin-6-amine
CID 87990472
N-methyl-2-(2-phenylethyl)-7H-purin-6-amine
CID 10956074
2-octyl-7H-purin-6-amine
CID 139890933
2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine
CID 142654616
N-methyl-2-(3-phenylpropyl)-7H-purin-6-amine
CID 11747563
2-[(6-amino-7H-purin-2-yl)methoxy]ethanol
CID 20566205

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7H-purin-6-amine?
The IUPAC name of 2-benzyl-7H-purin-6-amine (CID 15986830) is 2-benzyl-7H-purin-6-amine.
What is the SMILES notation for 2-benzyl-7H-purin-6-amine?
The canonical SMILES for 2-benzyl-7H-purin-6-amine is Nc1nc(Cc2ccccc2)nc2nc[nH]c12.
What is the InChIKey of 2-benzyl-7H-purin-6-amine?
The InChIKey is LHPVTMAMEMZFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c13-11-10-12(15-7-14-10)17-9(16-11)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17).
What are the key properties of 2-benzyl-7H-purin-6-amine?
2-benzyl-7H-purin-6-amine has a molecular weight of 225.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7H-purin-6-amine is sourced from PubChem (CID 15986830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).