N-benzyl-N-(2-methoxyethyl)-7H-purin-6-amine

C15H17N5O — CID 86803034

IUPACN-benzyl-N-(2-methoxyethyl)-7H-purin-6-amine
SMILESCOCCN(Cc1ccccc1)c1ncnc2nc[nH]c12
InChIInChI=1S/C15H17N5O/c1-21-8-7-20(9-12-5-3-2-4-6-12)15-13-14(17-10-16-13)18-11-19-15/h2-6,10-11H,7-9H2,1H3,(H,16,17,18,19)
InChIKeyOJWAVGZWSJXOQI-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.01
Rot. Bonds6

About N-benzyl-N-(2-methoxyethyl)-7H-purin-6-amine

N-benzyl-N-(2-methoxyethyl)-7H-purin-6-amine (PubChem CID 86803034) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is N-benzyl-N-(2-methoxyethyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-benzyl-N-(2-methoxyethyl)-7H-purin-6-amine
PubChem CID86803034
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC NameN-benzyl-N-(2-methoxyethyl)-7H-purin-6-amine
SMILESCOCCN(Cc1ccccc1)c1ncnc2nc[nH]c12
InChIInChI=1S/C15H17N5O/c1-21-8-7-20(9-12-5-3-2-4-6-12)15-13-14(17-10-16-13)18-11-19-15/h2-6,10-11H,7-9H2,1H3,(H,16,17,18,19)
InChIKeyOJWAVGZWSJXOQI-UHFFFAOYSA-N
XLogP2.01
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-(2-methoxyethyl)-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'-benzyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 61013592
N-benzyl-N-[(2,6-dichlorophenyl)methyl]-7H-purin-6-amine
CID 1115257
N-benzyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 174533398
2-[7H-purin-6-yl(thiophen-3-ylmethyl)amino]ethanol
CID 133403413
2-[(2-amino-7H-purin-6-yl)-benzylamino]ethanol
CID 114784943
N'-benzyl-N'-methyl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 756726
N-benzyl-2-chloro-N-ethyl-7H-purin-6-amine
CID 104787062
N-[(3-fluorophenyl)methyl]-N-methyl-7H-purin-6-amine
CID 94145814
N-[(3-aminophenyl)methyl]-N-methyl-7H-purin-6-amine
CID 60877421
N-[3-(4-methoxyphenyl)propyl]-N-methyl-7H-purin-6-amine
CID 133271373
N'-(2-methylpropyl)-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 55091105
6-[4-(2-methoxyethoxy)phenyl]-7H-purine
CID 122559987

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-methoxyethyl)-7H-purin-6-amine?
The IUPAC name of N-benzyl-N-(2-methoxyethyl)-7H-purin-6-amine (CID 86803034) is N-benzyl-N-(2-methoxyethyl)-7H-purin-6-amine.
What is the SMILES notation for N-benzyl-N-(2-methoxyethyl)-7H-purin-6-amine?
The canonical SMILES for N-benzyl-N-(2-methoxyethyl)-7H-purin-6-amine is COCCN(Cc1ccccc1)c1ncnc2nc[nH]c12.
What is the InChIKey of N-benzyl-N-(2-methoxyethyl)-7H-purin-6-amine?
The InChIKey is OJWAVGZWSJXOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-21-8-7-20(9-12-5-3-2-4-6-12)15-13-14(17-10-16-13)18-11-19-15/h2-6,10-11H,7-9H2,1H3,(H,16,17,18,19).
What are the key properties of N-benzyl-N-(2-methoxyethyl)-7H-purin-6-amine?
N-benzyl-N-(2-methoxyethyl)-7H-purin-6-amine has a molecular weight of 283.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-methoxyethyl)-7H-purin-6-amine is sourced from PubChem (CID 86803034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).