8-(4-methoxyphenyl)-9-methylpurin-6-amine

C13H13N5O — CID 69468314

IUPAC8-(4-methoxyphenyl)-9-methylpurin-6-amine
SMILESCOc1ccc(-c2nc3c(N)ncnc3n2C)cc1
InChIInChI=1S/C13H13N5O/c1-18-12(8-3-5-9(19-2)6-4-8)17-10-11(14)15-7-16-13(10)18/h3-7H,1-2H3,(H2,14,15,16)
InChIKeyLTLATYDGKKBWKW-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.62
Rot. Bonds2

About 8-(4-methoxyphenyl)-9-methylpurin-6-amine

8-(4-methoxyphenyl)-9-methylpurin-6-amine (PubChem CID 69468314) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-9-methylpurin-6-amine.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-9-methylpurin-6-amine
PubChem CID69468314
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name8-(4-methoxyphenyl)-9-methylpurin-6-amine
SMILESCOc1ccc(-c2nc3c(N)ncnc3n2C)cc1
InChIInChI=1S/C13H13N5O/c1-18-12(8-3-5-9(19-2)6-4-8)17-10-11(14)15-7-16-13(10)18/h3-7H,1-2H3,(H2,14,15,16)
InChIKeyLTLATYDGKKBWKW-UHFFFAOYSA-N
XLogP1.62
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-9-methylpurin-6-amine?
The IUPAC name of 8-(4-methoxyphenyl)-9-methylpurin-6-amine (CID 69468314) is 8-(4-methoxyphenyl)-9-methylpurin-6-amine.
What is the SMILES notation for 8-(4-methoxyphenyl)-9-methylpurin-6-amine?
The canonical SMILES for 8-(4-methoxyphenyl)-9-methylpurin-6-amine is COc1ccc(-c2nc3c(N)ncnc3n2C)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-9-methylpurin-6-amine?
The InChIKey is LTLATYDGKKBWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-18-12(8-3-5-9(19-2)6-4-8)17-10-11(14)15-7-16-13(10)18/h3-7H,1-2H3,(H2,14,15,16).
What are the key properties of 8-(4-methoxyphenyl)-9-methylpurin-6-amine?
8-(4-methoxyphenyl)-9-methylpurin-6-amine has a molecular weight of 255.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-9-methylpurin-6-amine is sourced from PubChem (CID 69468314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).