4-(7H-purin-6-yloxy)naphthalen-1-amine

C15H11N5O — CID 63690306

IUPAC4-(7H-purin-6-yloxy)naphthalen-1-amine
SMILESNc1ccc(Oc2ncnc3nc[nH]c23)c2ccccc12
InChIInChI=1S/C15H11N5O/c16-11-5-6-12(10-4-2-1-3-9(10)11)21-15-13-14(18-7-17-13)19-8-20-15/h1-8H,16H2,(H,17,18,19,20)
InChIKeyZKDGDMUIEQIZDK-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.88
Rot. Bonds2

About 4-(7H-purin-6-yloxy)naphthalen-1-amine

4-(7H-purin-6-yloxy)naphthalen-1-amine (PubChem CID 63690306) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is 4-(7H-purin-6-yloxy)naphthalen-1-amine.

Molecular Properties

Compound Name4-(7H-purin-6-yloxy)naphthalen-1-amine
PubChem CID63690306
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC Name4-(7H-purin-6-yloxy)naphthalen-1-amine
SMILESNc1ccc(Oc2ncnc3nc[nH]c23)c2ccccc12
InChIInChI=1S/C15H11N5O/c16-11-5-6-12(10-4-2-1-3-9(10)11)21-15-13-14(18-7-17-13)19-8-20-15/h1-8H,16H2,(H,17,18,19,20)
InChIKeyZKDGDMUIEQIZDK-UHFFFAOYSA-N
XLogP2.88
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-Cyclohexylmethyloxy-2-(4'-hydroxyanilino)purine
CID 447649
O6-Cyclohexylmethylguanine deriv. 20
CID 5329555
O6-Cyclohexylmethylguanine deriv. 26
CID 5329560
N-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine
CID 24983495
8-Methoxy-4-propoxy-5H-pyrimido[5,4-b]indole
CID 2017372
6-(cyclohexylmethoxy)-N-(3-methoxyphenyl)-9H-purin-2-amine
CID 5329556
4-Butoxy-8-methoxy-5H-pyrimido[5,4-b]indole
CID 5122830
N-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-3H-imidazo[4,5-c]pyridin-2-amine
CID 24983298
N-(2,3-dimethyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)-1H-benzo[d]imidazol-2-amine
CID 24983384
7-methyl-N-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine
CID 24983494
6-[(R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-9H-purine
CID 44553226
N-(3-Methyl-4-((6-methylpyridin-3-yl)oxy)phenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 56849556

Frequently Asked Questions

What is the IUPAC name of 4-(7H-purin-6-yloxy)naphthalen-1-amine?
The IUPAC name of 4-(7H-purin-6-yloxy)naphthalen-1-amine (CID 63690306) is 4-(7H-purin-6-yloxy)naphthalen-1-amine.
What is the SMILES notation for 4-(7H-purin-6-yloxy)naphthalen-1-amine?
The canonical SMILES for 4-(7H-purin-6-yloxy)naphthalen-1-amine is Nc1ccc(Oc2ncnc3nc[nH]c23)c2ccccc12.
What is the InChIKey of 4-(7H-purin-6-yloxy)naphthalen-1-amine?
The InChIKey is ZKDGDMUIEQIZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c16-11-5-6-12(10-4-2-1-3-9(10)11)21-15-13-14(18-7-17-13)19-8-20-15/h1-8H,16H2,(H,17,18,19,20).
What are the key properties of 4-(7H-purin-6-yloxy)naphthalen-1-amine?
4-(7H-purin-6-yloxy)naphthalen-1-amine has a molecular weight of 277.29 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7H-purin-6-yloxy)naphthalen-1-amine is sourced from PubChem (CID 63690306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).