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

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Related Compounds

9-butyl-8-(3,4,5-trimethoxybenzyl)-9H-purin-6-amine
CID 448965
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
Olomoucine Ii
CID 5494414
9-butyl-8-(4-methoxybenzyl)-9H-purin-6-amine
CID 5289227
N-(2-methoxybenzyl)-9H-purin-6-amine
CID 756722
8-(2,4-Dimethoxyphenyl)-9H-purine-2,6-diamine
CID 457736
2,4-Disubstituted Pyrimidine 2g
CID 5329420
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 34
CID 6538787
7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538789

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).