8-(3-methoxy-4-methylphenyl)-7H-purin-6-amine

C13H13N5O — CID 114608321

IUPAC8-(3-methoxy-4-methylphenyl)-7H-purin-6-amine
SMILESCOc1cc(-c2nc3ncnc(N)c3[nH]2)ccc1C
InChIInChI=1S/C13H13N5O/c1-7-3-4-8(5-9(7)19-2)12-17-10-11(14)15-6-16-13(10)18-12/h3-6H,1-2H3,(H3,14,15,16,17,18)
InChIKeyMCBNBGVDDMQNKS-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.92
Rot. Bonds2

About 8-(3-methoxy-4-methylphenyl)-7H-purin-6-amine

8-(3-methoxy-4-methylphenyl)-7H-purin-6-amine (PubChem CID 114608321) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 8-(3-methoxy-4-methylphenyl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(3-methoxy-4-methylphenyl)-7H-purin-6-amine
PubChem CID114608321
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name8-(3-methoxy-4-methylphenyl)-7H-purin-6-amine
SMILESCOc1cc(-c2nc3ncnc(N)c3[nH]2)ccc1C
InChIInChI=1S/C13H13N5O/c1-7-3-4-8(5-9(7)19-2)12-17-10-11(14)15-6-16-13(10)18-12/h3-6H,1-2H3,(H3,14,15,16,17,18)
InChIKeyMCBNBGVDDMQNKS-UHFFFAOYSA-N
XLogP1.92
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-(4-amino-3-methylphenyl)-7H-purin-6-amine
CID 114608073
8-(3,5-dimethylphenyl)-7H-purin-6-amine
CID 114608308
8-(3-iodophenyl)-7H-purin-6-amine
CID 114608191
8-[4-(chloromethyl)phenyl]-7H-purin-6-amine
CID 114608101
8-(3-methylthiophen-2-yl)-7H-purin-6-amine
CID 114608303
2-(3-methoxy-4-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82795992
6-chloro-8-(3-methoxyphenyl)-7H-purine
CID 24903924
8-(2,5-dimethylpyrazol-3-yl)-7H-purin-6-amine
CID 137003605
[2-(3-methoxy-4-methylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004525
8-(4-methyl-1,3-oxazol-5-yl)-7H-purin-6-amine
CID 114608408
6-bromo-2-(3-methoxy-4-methylphenyl)-1H-benzimidazole
CID 64723120
4-(3-methoxy-4-methylphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine
CID 102921933

Frequently Asked Questions

What is the IUPAC name of 8-(3-methoxy-4-methylphenyl)-7H-purin-6-amine?
The IUPAC name of 8-(3-methoxy-4-methylphenyl)-7H-purin-6-amine (CID 114608321) is 8-(3-methoxy-4-methylphenyl)-7H-purin-6-amine.
What is the SMILES notation for 8-(3-methoxy-4-methylphenyl)-7H-purin-6-amine?
The canonical SMILES for 8-(3-methoxy-4-methylphenyl)-7H-purin-6-amine is COc1cc(-c2nc3ncnc(N)c3[nH]2)ccc1C.
What is the InChIKey of 8-(3-methoxy-4-methylphenyl)-7H-purin-6-amine?
The InChIKey is MCBNBGVDDMQNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-7-3-4-8(5-9(7)19-2)12-17-10-11(14)15-6-16-13(10)18-12/h3-6H,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 8-(3-methoxy-4-methylphenyl)-7H-purin-6-amine?
8-(3-methoxy-4-methylphenyl)-7H-purin-6-amine has a molecular weight of 255.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methoxy-4-methylphenyl)-7H-purin-6-amine is sourced from PubChem (CID 114608321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).