9-methoxy-6-naphthalen-1-ylpurin-2-amine

C16H13N5O — CID 57038063

IUPAC9-methoxy-6-naphthalen-1-ylpurin-2-amine
SMILESCOn1cnc2c(-c3cccc4ccccc34)nc(N)nc21
InChIInChI=1S/C16H13N5O/c1-22-21-9-18-14-13(19-16(17)20-15(14)21)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H2,17,19,20)
InChIKeyUSJDXGLHRBZZHD-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.29
Rot. Bonds2

About 9-methoxy-6-naphthalen-1-ylpurin-2-amine

9-methoxy-6-naphthalen-1-ylpurin-2-amine (PubChem CID 57038063) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 9-methoxy-6-naphthalen-1-ylpurin-2-amine.

Molecular Properties

Compound Name9-methoxy-6-naphthalen-1-ylpurin-2-amine
PubChem CID57038063
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name9-methoxy-6-naphthalen-1-ylpurin-2-amine
SMILESCOn1cnc2c(-c3cccc4ccccc34)nc(N)nc21
InChIInChI=1S/C16H13N5O/c1-22-21-9-18-14-13(19-16(17)20-15(14)21)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H2,17,19,20)
InChIKeyUSJDXGLHRBZZHD-UHFFFAOYSA-N
XLogP2.29
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-6-naphthalen-1-ylpurin-2-amine?
The IUPAC name of 9-methoxy-6-naphthalen-1-ylpurin-2-amine (CID 57038063) is 9-methoxy-6-naphthalen-1-ylpurin-2-amine.
What is the SMILES notation for 9-methoxy-6-naphthalen-1-ylpurin-2-amine?
The canonical SMILES for 9-methoxy-6-naphthalen-1-ylpurin-2-amine is COn1cnc2c(-c3cccc4ccccc34)nc(N)nc21.
What is the InChIKey of 9-methoxy-6-naphthalen-1-ylpurin-2-amine?
The InChIKey is USJDXGLHRBZZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-22-21-9-18-14-13(19-16(17)20-15(14)21)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H2,17,19,20).
What are the key properties of 9-methoxy-6-naphthalen-1-ylpurin-2-amine?
9-methoxy-6-naphthalen-1-ylpurin-2-amine has a molecular weight of 291.31 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-6-naphthalen-1-ylpurin-2-amine is sourced from PubChem (CID 57038063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).