2-[methyl(7H-purin-6-yl)amino]-N-(1-naphthalen-1-ylpropyl)acetamide

C21H22N6O — CID 154878424

IUPAC2-[methyl(7H-purin-6-yl)amino]-N-(1-naphthalen-1-ylpropyl)acetamide
SMILESCCC(NC(=O)CN(C)c1ncnc2nc[nH]c12)c1cccc2ccccc12
InChIInChI=1S/C21H22N6O/c1-3-17(16-10-6-8-14-7-4-5-9-15(14)16)26-18(28)11-27(2)21-19-20(23-12-22-19)24-13-25-21/h4-10,12-13,17H,3,11H2,1-2H3,(H,26,28)(H,22,23,24,25)
InChIKeyYOWBDQQMTNIGPQ-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.21
Rot. Bonds6

About 2-[methyl(7H-purin-6-yl)amino]-N-(1-naphthalen-1-ylpropyl)acetamide

2-[methyl(7H-purin-6-yl)amino]-N-(1-naphthalen-1-ylpropyl)acetamide (PubChem CID 154878424) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-[methyl(7H-purin-6-yl)amino]-N-(1-naphthalen-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[methyl(7H-purin-6-yl)amino]-N-(1-naphthalen-1-ylpropyl)acetamide
PubChem CID154878424
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name2-[methyl(7H-purin-6-yl)amino]-N-(1-naphthalen-1-ylpropyl)acetamide
SMILESCCC(NC(=O)CN(C)c1ncnc2nc[nH]c12)c1cccc2ccccc12
InChIInChI=1S/C21H22N6O/c1-3-17(16-10-6-8-14-7-4-5-9-15(14)16)26-18(28)11-27(2)21-19-20(23-12-22-19)24-13-25-21/h4-10,12-13,17H,3,11H2,1-2H3,(H,26,28)(H,22,23,24,25)
InChIKeyYOWBDQQMTNIGPQ-UHFFFAOYSA-N
XLogP3.21
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(7H-purin-6-yl)amino]-N-(1-naphthalen-1-ylpropyl)acetamide?
The IUPAC name of 2-[methyl(7H-purin-6-yl)amino]-N-(1-naphthalen-1-ylpropyl)acetamide (CID 154878424) is 2-[methyl(7H-purin-6-yl)amino]-N-(1-naphthalen-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[methyl(7H-purin-6-yl)amino]-N-(1-naphthalen-1-ylpropyl)acetamide?
The canonical SMILES for 2-[methyl(7H-purin-6-yl)amino]-N-(1-naphthalen-1-ylpropyl)acetamide is CCC(NC(=O)CN(C)c1ncnc2nc[nH]c12)c1cccc2ccccc12.
What is the InChIKey of 2-[methyl(7H-purin-6-yl)amino]-N-(1-naphthalen-1-ylpropyl)acetamide?
The InChIKey is YOWBDQQMTNIGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-3-17(16-10-6-8-14-7-4-5-9-15(14)16)26-18(28)11-27(2)21-19-20(23-12-22-19)24-13-25-21/h4-10,12-13,17H,3,11H2,1-2H3,(H,26,28)(H,22,23,24,25).
What are the key properties of 2-[methyl(7H-purin-6-yl)amino]-N-(1-naphthalen-1-ylpropyl)acetamide?
2-[methyl(7H-purin-6-yl)amino]-N-(1-naphthalen-1-ylpropyl)acetamide has a molecular weight of 374.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(7H-purin-6-yl)amino]-N-(1-naphthalen-1-ylpropyl)acetamide is sourced from PubChem (CID 154878424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).