9-methyl-2-naphthalen-2-yl-N-pyridin-4-ylpurin-6-amine

C21H16N6 — CID 44535685

IUPAC9-methyl-2-naphthalen-2-yl-N-pyridin-4-ylpurin-6-amine
SMILESCn1cnc2c(Nc3ccncc3)nc(-c3ccc4ccccc4c3)nc21
InChIInChI=1S/C21H16N6/c1-27-13-23-18-20(24-17-8-10-22-11-9-17)25-19(26-21(18)27)16-7-6-14-4-2-3-5-15(14)12-16/h2-13H,1H3,(H,22,24,25,26)
InChIKeyQHHLQFITTIKWRK-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.32
Rot. Bonds3

About 9-methyl-2-naphthalen-2-yl-N-pyridin-4-ylpurin-6-amine

9-methyl-2-naphthalen-2-yl-N-pyridin-4-ylpurin-6-amine (PubChem CID 44535685) has the molecular formula C21H16N6 and a molecular weight of 352.40 g/mol. Its IUPAC name is 9-methyl-2-naphthalen-2-yl-N-pyridin-4-ylpurin-6-amine.

Molecular Properties

Compound Name9-methyl-2-naphthalen-2-yl-N-pyridin-4-ylpurin-6-amine
PubChem CID44535685
Molecular FormulaC21H16N6
Molecular Weight352.40 g/mol
Exact Mass352.14
IUPAC Name9-methyl-2-naphthalen-2-yl-N-pyridin-4-ylpurin-6-amine
SMILESCn1cnc2c(Nc3ccncc3)nc(-c3ccc4ccccc4c3)nc21
InChIInChI=1S/C21H16N6/c1-27-13-23-18-20(24-17-8-10-22-11-9-17)25-19(26-21(18)27)16-7-6-14-4-2-3-5-15(14)12-16/h2-13H,1H3,(H,22,24,25,26)
InChIKeyQHHLQFITTIKWRK-UHFFFAOYSA-N
XLogP4.32
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-naphthalen-2-yl-N-pyridin-4-ylpurin-6-amine?
The IUPAC name of 9-methyl-2-naphthalen-2-yl-N-pyridin-4-ylpurin-6-amine (CID 44535685) is 9-methyl-2-naphthalen-2-yl-N-pyridin-4-ylpurin-6-amine.
What is the SMILES notation for 9-methyl-2-naphthalen-2-yl-N-pyridin-4-ylpurin-6-amine?
The canonical SMILES for 9-methyl-2-naphthalen-2-yl-N-pyridin-4-ylpurin-6-amine is Cn1cnc2c(Nc3ccncc3)nc(-c3ccc4ccccc4c3)nc21.
What is the InChIKey of 9-methyl-2-naphthalen-2-yl-N-pyridin-4-ylpurin-6-amine?
The InChIKey is QHHLQFITTIKWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6/c1-27-13-23-18-20(24-17-8-10-22-11-9-17)25-19(26-21(18)27)16-7-6-14-4-2-3-5-15(14)12-16/h2-13H,1H3,(H,22,24,25,26).
What are the key properties of 9-methyl-2-naphthalen-2-yl-N-pyridin-4-ylpurin-6-amine?
9-methyl-2-naphthalen-2-yl-N-pyridin-4-ylpurin-6-amine has a molecular weight of 352.40 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-naphthalen-2-yl-N-pyridin-4-ylpurin-6-amine is sourced from PubChem (CID 44535685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).