6-[(3-aminophenyl)methoxy]-7H-purin-2-amine

C12H12N6O — CID 5329517

IUPAC6-[(3-aminophenyl)methoxy]-7H-purin-2-amine
SMILESNc1cccc(COc2nc(N)nc3nc[nH]c23)c1
InChIInChI=1S/C12H12N6O/c13-8-3-1-2-7(4-8)5-19-11-9-10(16-6-15-9)17-12(14)18-11/h1-4,6H,5,13H2,(H3,14,15,16,17,18)
InChIKeyQCEFDVCKQLVMCW-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.10
Rot. Bonds3

About 6-[(3-aminophenyl)methoxy]-7H-purin-2-amine

6-[(3-aminophenyl)methoxy]-7H-purin-2-amine (PubChem CID 5329517) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 6-[(3-aminophenyl)methoxy]-7H-purin-2-amine.

Molecular Properties

Compound Name6-[(3-aminophenyl)methoxy]-7H-purin-2-amine
PubChem CID5329517
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name6-[(3-aminophenyl)methoxy]-7H-purin-2-amine
SMILESNc1cccc(COc2nc(N)nc3nc[nH]c23)c1
InChIInChI=1S/C12H12N6O/c13-8-3-1-2-7(4-8)5-19-11-9-10(16-6-15-9)17-12(14)18-11/h1-4,6H,5,13H2,(H3,14,15,16,17,18)
InChIKeyQCEFDVCKQLVMCW-UHFFFAOYSA-N
XLogP1.10
TPSA115.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine
CID 5329518
6-[(3-iodophenyl)methoxy]-7H-purin-2-amine
CID 11530724
N-[[3-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]acetamide
CID 71462400
6-[[4-(2-aminoethyl)phenyl]methoxy]-7H-purin-2-amine
CID 146985461
6-(naphthalen-1-ylmethoxy)-7H-purin-2-amine
CID 5329522
4-[(2-amino-7H-purin-6-yl)oxymethyl]benzaldehyde
CID 10107108
6-(3-ethylphenoxy)-7H-purin-2-amine
CID 114786919
6-(2,2-difluoroethoxy)-7H-purin-2-amine
CID 114787974
N-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-5-oxopentanamide
CID 91133793
2-chloro-6-[(4-chlorophenyl)methoxy]-7H-purine
CID 86188206
5-[(2-amino-7H-purin-6-yl)oxy]pentan-1-ol
CID 114216836
6-(2,3-dimethylphenoxy)-7H-purin-2-amine
CID 114787154

Frequently Asked Questions

What is the IUPAC name of 6-[(3-aminophenyl)methoxy]-7H-purin-2-amine?
The IUPAC name of 6-[(3-aminophenyl)methoxy]-7H-purin-2-amine (CID 5329517) is 6-[(3-aminophenyl)methoxy]-7H-purin-2-amine.
What is the SMILES notation for 6-[(3-aminophenyl)methoxy]-7H-purin-2-amine?
The canonical SMILES for 6-[(3-aminophenyl)methoxy]-7H-purin-2-amine is Nc1cccc(COc2nc(N)nc3nc[nH]c23)c1.
What is the InChIKey of 6-[(3-aminophenyl)methoxy]-7H-purin-2-amine?
The InChIKey is QCEFDVCKQLVMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c13-8-3-1-2-7(4-8)5-19-11-9-10(16-6-15-9)17-12(14)18-11/h1-4,6H,5,13H2,(H3,14,15,16,17,18).
What are the key properties of 6-[(3-aminophenyl)methoxy]-7H-purin-2-amine?
6-[(3-aminophenyl)methoxy]-7H-purin-2-amine has a molecular weight of 256.27 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-aminophenyl)methoxy]-7H-purin-2-amine is sourced from PubChem (CID 5329517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).