9-[(2-methoxyphenyl)methyl]-N,2-dimethylpurin-6-amine

C15H17N5O — CID 10881731

IUPAC9-[(2-methoxyphenyl)methyl]-N,2-dimethylpurin-6-amine
SMILESCNc1nc(C)nc2c1ncn2Cc1ccccc1OC
InChIInChI=1S/C15H17N5O/c1-10-18-14(16-2)13-15(19-10)20(9-17-13)8-11-6-4-5-7-12(11)21-3/h4-7,9H,8H2,1-3H3,(H,16,18,19)
InChIKeyKMYYNLWZXAXCII-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.23
Rot. Bonds4

About 9-[(2-methoxyphenyl)methyl]-N,2-dimethylpurin-6-amine

9-[(2-methoxyphenyl)methyl]-N,2-dimethylpurin-6-amine (PubChem CID 10881731) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 9-[(2-methoxyphenyl)methyl]-N,2-dimethylpurin-6-amine.

Molecular Properties

Compound Name9-[(2-methoxyphenyl)methyl]-N,2-dimethylpurin-6-amine
PubChem CID10881731
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name9-[(2-methoxyphenyl)methyl]-N,2-dimethylpurin-6-amine
SMILESCNc1nc(C)nc2c1ncn2Cc1ccccc1OC
InChIInChI=1S/C15H17N5O/c1-10-18-14(16-2)13-15(19-10)20(9-17-13)8-11-6-4-5-7-12(11)21-3/h4-7,9H,8H2,1-3H3,(H,16,18,19)
InChIKeyKMYYNLWZXAXCII-UHFFFAOYSA-N
XLogP2.23
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-[(2-methoxyphenyl)methyl]-N,2-dimethylpurin-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

Frequently Asked Questions

What is the IUPAC name of 9-[(2-methoxyphenyl)methyl]-N,2-dimethylpurin-6-amine?
The IUPAC name of 9-[(2-methoxyphenyl)methyl]-N,2-dimethylpurin-6-amine (CID 10881731) is 9-[(2-methoxyphenyl)methyl]-N,2-dimethylpurin-6-amine.
What is the SMILES notation for 9-[(2-methoxyphenyl)methyl]-N,2-dimethylpurin-6-amine?
The canonical SMILES for 9-[(2-methoxyphenyl)methyl]-N,2-dimethylpurin-6-amine is CNc1nc(C)nc2c1ncn2Cc1ccccc1OC.
What is the InChIKey of 9-[(2-methoxyphenyl)methyl]-N,2-dimethylpurin-6-amine?
The InChIKey is KMYYNLWZXAXCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-10-18-14(16-2)13-15(19-10)20(9-17-13)8-11-6-4-5-7-12(11)21-3/h4-7,9H,8H2,1-3H3,(H,16,18,19).
What are the key properties of 9-[(2-methoxyphenyl)methyl]-N,2-dimethylpurin-6-amine?
9-[(2-methoxyphenyl)methyl]-N,2-dimethylpurin-6-amine has a molecular weight of 283.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-methoxyphenyl)methyl]-N,2-dimethylpurin-6-amine is sourced from PubChem (CID 10881731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).