9-benzyl-8-(2-methoxyphenyl)purin-6-amine

C19H17N5O — CID 102480817

IUPAC9-benzyl-8-(2-methoxyphenyl)purin-6-amine
SMILESCOc1ccccc1-c1nc2c(N)ncnc2n1Cc1ccccc1
InChIInChI=1S/C19H17N5O/c1-25-15-10-6-5-9-14(15)18-23-16-17(20)21-12-22-19(16)24(18)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H2,20,21,22)
InChIKeyYTPPSRSGEIKIMU-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.13
Rot. Bonds4

About 9-benzyl-8-(2-methoxyphenyl)purin-6-amine

9-benzyl-8-(2-methoxyphenyl)purin-6-amine (PubChem CID 102480817) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 9-benzyl-8-(2-methoxyphenyl)purin-6-amine.

Molecular Properties

Compound Name9-benzyl-8-(2-methoxyphenyl)purin-6-amine
PubChem CID102480817
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name9-benzyl-8-(2-methoxyphenyl)purin-6-amine
SMILESCOc1ccccc1-c1nc2c(N)ncnc2n1Cc1ccccc1
InChIInChI=1S/C19H17N5O/c1-25-15-10-6-5-9-14(15)18-23-16-17(20)21-12-22-19(16)24(18)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H2,20,21,22)
InChIKeyYTPPSRSGEIKIMU-UHFFFAOYSA-N
XLogP3.13
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-benzyl-8-(2-methoxyphenyl)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

9-benzyl-8-(4-methoxyphenyl)purin-6-amine
CID 102024707
6-amino-9-benzylpurine-8-sulfonate
CID 3633533
9-benzyl-8-(4-methoxyphenyl)-6-phenylpurine
CID 101425056
(2R)-2-(6-amino-9-benzylpurin-8-yl)sulfanylbutanoic acid
CID 97035789
N'-(6-amino-9-benzylpurin-8-yl)acetohydrazide
CID 91927535
[2-[4-[(6-amino-8-butylpurin-9-yl)methyl]phenyl]phenyl] hydrogen carbonate
CID 67902430
2-(6-amino-9-benzylpurin-8-yl)sulfanylacetate
CID 3633535
7-benzyl-6-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 59536508
9-benzyl-8-[2-(1,10-phenanthrolin-2-yl)ethynyl]purin-6-amine
CID 16664398
1-benzyl-3-(2-methoxyphenyl)-1,8-naphthyridin-2-one
CID 139602460
1-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-5-phenylmethoxybenzimidazole
CID 170765469
4-(9-benzyl-8-methoxypurin-6-yl)morpholine
CID 11508112

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-8-(2-methoxyphenyl)purin-6-amine?
The IUPAC name of 9-benzyl-8-(2-methoxyphenyl)purin-6-amine (CID 102480817) is 9-benzyl-8-(2-methoxyphenyl)purin-6-amine.
What is the SMILES notation for 9-benzyl-8-(2-methoxyphenyl)purin-6-amine?
The canonical SMILES for 9-benzyl-8-(2-methoxyphenyl)purin-6-amine is COc1ccccc1-c1nc2c(N)ncnc2n1Cc1ccccc1.
What is the InChIKey of 9-benzyl-8-(2-methoxyphenyl)purin-6-amine?
The InChIKey is YTPPSRSGEIKIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-25-15-10-6-5-9-14(15)18-23-16-17(20)21-12-22-19(16)24(18)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H2,20,21,22).
What are the key properties of 9-benzyl-8-(2-methoxyphenyl)purin-6-amine?
9-benzyl-8-(2-methoxyphenyl)purin-6-amine has a molecular weight of 331.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-8-(2-methoxyphenyl)purin-6-amine is sourced from PubChem (CID 102480817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).