6-(3-ethylphenoxy)-7H-purin-2-amine

C13H13N5O — CID 114786919

IUPAC6-(3-ethylphenoxy)-7H-purin-2-amine
SMILESCCc1cccc(Oc2nc(N)nc3nc[nH]c23)c1
InChIInChI=1S/C13H13N5O/c1-2-8-4-3-5-9(6-8)19-12-10-11(16-7-15-10)17-13(14)18-12/h3-7H,2H2,1H3,(H3,14,15,16,17,18)
InChIKeyHJTFEPNTSUMIFA-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.29
Rot. Bonds3

About 6-(3-ethylphenoxy)-7H-purin-2-amine

6-(3-ethylphenoxy)-7H-purin-2-amine (PubChem CID 114786919) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-(3-ethylphenoxy)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(3-ethylphenoxy)-7H-purin-2-amine
PubChem CID114786919
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name6-(3-ethylphenoxy)-7H-purin-2-amine
SMILESCCc1cccc(Oc2nc(N)nc3nc[nH]c23)c1
InChIInChI=1S/C13H13N5O/c1-2-8-4-3-5-9(6-8)19-12-10-11(16-7-15-10)17-13(14)18-12/h3-7H,2H2,1H3,(H3,14,15,16,17,18)
InChIKeyHJTFEPNTSUMIFA-UHFFFAOYSA-N
XLogP2.29
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.29
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-(2,3-dimethylphenoxy)-7H-purin-2-amine
CID 114787154
6-(4-propan-2-ylphenoxy)-7H-purin-2-amine
CID 114787126
6-[(3-iodophenyl)methoxy]-7H-purin-2-amine
CID 11530724
2-chloro-6-(3-chlorophenoxy)-7H-purine
CID 104786941
6-(2,3-difluorophenoxy)-7H-purin-2-amine
CID 114787655
6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 115669342
6-quinolin-8-yloxy-7H-purin-2-amine
CID 114787361
4-(3-ethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80859995
4-[(2-amino-7H-purin-6-yl)oxy]benzonitrile
CID 114787259
6-ethyl-4-(3-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331559

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylphenoxy)-7H-purin-2-amine?
The IUPAC name of 6-(3-ethylphenoxy)-7H-purin-2-amine (CID 114786919) is 6-(3-ethylphenoxy)-7H-purin-2-amine.
What is the SMILES notation for 6-(3-ethylphenoxy)-7H-purin-2-amine?
The canonical SMILES for 6-(3-ethylphenoxy)-7H-purin-2-amine is CCc1cccc(Oc2nc(N)nc3nc[nH]c23)c1.
What is the InChIKey of 6-(3-ethylphenoxy)-7H-purin-2-amine?
The InChIKey is HJTFEPNTSUMIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-2-8-4-3-5-9(6-8)19-12-10-11(16-7-15-10)17-13(14)18-12/h3-7H,2H2,1H3,(H3,14,15,16,17,18).
What are the key properties of 6-(3-ethylphenoxy)-7H-purin-2-amine?
6-(3-ethylphenoxy)-7H-purin-2-amine has a molecular weight of 255.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylphenoxy)-7H-purin-2-amine is sourced from PubChem (CID 114786919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).