9-benzyl-8-(4-methoxyphenyl)purin-6-amine

C19H17N5O — CID 102024707

IUPAC9-benzyl-8-(4-methoxyphenyl)purin-6-amine
SMILESCOc1ccc(-c2nc3c(N)ncnc3n2Cc2ccccc2)cc1
InChIInChI=1S/C19H17N5O/c1-25-15-9-7-14(8-10-15)18-23-16-17(20)21-12-22-19(16)24(18)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H2,20,21,22)
InChIKeyOMIQMRPDFSKUQU-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.13
Rot. Bonds4

About 9-benzyl-8-(4-methoxyphenyl)purin-6-amine

9-benzyl-8-(4-methoxyphenyl)purin-6-amine (PubChem CID 102024707) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 9-benzyl-8-(4-methoxyphenyl)purin-6-amine.

Molecular Properties

Compound Name9-benzyl-8-(4-methoxyphenyl)purin-6-amine
PubChem CID102024707
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name9-benzyl-8-(4-methoxyphenyl)purin-6-amine
SMILESCOc1ccc(-c2nc3c(N)ncnc3n2Cc2ccccc2)cc1
InChIInChI=1S/C19H17N5O/c1-25-15-9-7-14(8-10-15)18-23-16-17(20)21-12-22-19(16)24(18)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H2,20,21,22)
InChIKeyOMIQMRPDFSKUQU-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

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Related Compounds

9-benzyl-8-(4-methoxyphenyl)-6-phenylpurine
CID 101425056
9-benzyl-8-(2-methoxyphenyl)purin-6-amine
CID 102480817
7-benzyl-6-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 59536508
8-(4-methoxyphenyl)-9-methylpurin-6-amine
CID 69468314
4-(9-benzyl-6-chloropurin-8-yl)phenol
CID 171791694
4-(9-benzyl-6-propan-2-yloxypurin-8-yl)phenol
CID 171791650
6-amino-9-benzylpurine-8-sulfonate
CID 3633533
N'-(6-amino-9-benzylpurin-8-yl)acetohydrazide
CID 91927535
9-benzyl-8-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-propan-2-yloxypurine
CID 171791944
1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole
CID 45104451
2-(6-amino-9-benzylpurin-8-yl)sulfanylacetate
CID 3633535
9-benzyl-2-N-butyl-8-(5-methoxy-3-pyridinyl)purine-2,6-diamine
CID 138700814

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-8-(4-methoxyphenyl)purin-6-amine?
The IUPAC name of 9-benzyl-8-(4-methoxyphenyl)purin-6-amine (CID 102024707) is 9-benzyl-8-(4-methoxyphenyl)purin-6-amine.
What is the SMILES notation for 9-benzyl-8-(4-methoxyphenyl)purin-6-amine?
The canonical SMILES for 9-benzyl-8-(4-methoxyphenyl)purin-6-amine is COc1ccc(-c2nc3c(N)ncnc3n2Cc2ccccc2)cc1.
What is the InChIKey of 9-benzyl-8-(4-methoxyphenyl)purin-6-amine?
The InChIKey is OMIQMRPDFSKUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-25-15-9-7-14(8-10-15)18-23-16-17(20)21-12-22-19(16)24(18)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H2,20,21,22).
What are the key properties of 9-benzyl-8-(4-methoxyphenyl)purin-6-amine?
9-benzyl-8-(4-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-(4-methoxyphenyl)purin-6-amine is sourced from PubChem (CID 102024707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).