6-(naphthalen-1-ylmethoxy)-7H-purin-2-amine

C16H13N5O — CID 5329522

IUPAC6-(naphthalen-1-ylmethoxy)-7H-purin-2-amine
SMILESNc1nc(OCc2cccc3ccccc23)c2[nH]cnc2n1
InChIInChI=1S/C16H13N5O/c17-16-20-14-13(18-9-19-14)15(21-16)22-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2,(H3,17,18,19,20,21)
InChIKeyWMCGLLJXPTTZSI-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.67
Rot. Bonds3

About 6-(naphthalen-1-ylmethoxy)-7H-purin-2-amine

6-(naphthalen-1-ylmethoxy)-7H-purin-2-amine (PubChem CID 5329522) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-(naphthalen-1-ylmethoxy)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(naphthalen-1-ylmethoxy)-7H-purin-2-amine
PubChem CID5329522
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name6-(naphthalen-1-ylmethoxy)-7H-purin-2-amine
SMILESNc1nc(OCc2cccc3ccccc23)c2[nH]cnc2n1
InChIInChI=1S/C16H13N5O/c17-16-20-14-13(18-9-19-14)15(21-16)22-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2,(H3,17,18,19,20,21)
InChIKeyWMCGLLJXPTTZSI-UHFFFAOYSA-N
XLogP2.67
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine
CID 5329518
6-[(3-aminophenyl)methoxy]-7H-purin-2-amine
CID 5329517
6-[(3-iodophenyl)methoxy]-7H-purin-2-amine
CID 11530724
6-[[4-(2-aminoethyl)phenyl]methoxy]-7H-purin-2-amine
CID 146985461
2-[2-[(2-amino-7H-purin-6-yl)oxy]phenyl]ethanol
CID 91991251
N-[[3-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]acetamide
CID 71462400
4-[(2-amino-7H-purin-6-yl)oxymethyl]benzaldehyde
CID 10107108
N-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-5-oxopentanamide
CID 91133793
N-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]pent-4-ynamide
CID 126713585
6-quinolin-8-yloxy-7H-purin-2-amine
CID 114787361
5-[(2-amino-7H-purin-6-yl)oxy]pentan-1-ol
CID 114216836
N'-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-N-propylpentanediamide
CID 144895016

Frequently Asked Questions

What is the IUPAC name of 6-(naphthalen-1-ylmethoxy)-7H-purin-2-amine?
The IUPAC name of 6-(naphthalen-1-ylmethoxy)-7H-purin-2-amine (CID 5329522) is 6-(naphthalen-1-ylmethoxy)-7H-purin-2-amine.
What is the SMILES notation for 6-(naphthalen-1-ylmethoxy)-7H-purin-2-amine?
The canonical SMILES for 6-(naphthalen-1-ylmethoxy)-7H-purin-2-amine is Nc1nc(OCc2cccc3ccccc23)c2[nH]cnc2n1.
What is the InChIKey of 6-(naphthalen-1-ylmethoxy)-7H-purin-2-amine?
The InChIKey is WMCGLLJXPTTZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c17-16-20-14-13(18-9-19-14)15(21-16)22-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2,(H3,17,18,19,20,21).
What are the key properties of 6-(naphthalen-1-ylmethoxy)-7H-purin-2-amine?
6-(naphthalen-1-ylmethoxy)-7H-purin-2-amine has a molecular weight of 291.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(naphthalen-1-ylmethoxy)-7H-purin-2-amine is sourced from PubChem (CID 5329522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).