6-(2,3-dimethylphenoxy)-7H-purin-2-amine

C13H13N5O — CID 114787154

IUPAC6-(2,3-dimethylphenoxy)-7H-purin-2-amine
SMILESCc1cccc(Oc2nc(N)nc3nc[nH]c23)c1C
InChIInChI=1S/C13H13N5O/c1-7-4-3-5-9(8(7)2)19-12-10-11(16-6-15-10)17-13(14)18-12/h3-6H,1-2H3,(H3,14,15,16,17,18)
InChIKeyUJZIVDSZCOUAKJ-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.34
Rot. Bonds2

About 6-(2,3-dimethylphenoxy)-7H-purin-2-amine

6-(2,3-dimethylphenoxy)-7H-purin-2-amine (PubChem CID 114787154) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-(2,3-dimethylphenoxy)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(2,3-dimethylphenoxy)-7H-purin-2-amine
PubChem CID114787154
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name6-(2,3-dimethylphenoxy)-7H-purin-2-amine
SMILESCc1cccc(Oc2nc(N)nc3nc[nH]c23)c1C
InChIInChI=1S/C13H13N5O/c1-7-4-3-5-9(8(7)2)19-12-10-11(16-6-15-10)17-13(14)18-12/h3-6H,1-2H3,(H3,14,15,16,17,18)
InChIKeyUJZIVDSZCOUAKJ-UHFFFAOYSA-N
XLogP2.34
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,3-difluorophenoxy)-7H-purin-2-amine
CID 114787655
6-quinolin-8-yloxy-7H-purin-2-amine
CID 114787361
2-[2-[(2-amino-7H-purin-6-yl)oxy]phenyl]ethanol
CID 91991251
6-(3-ethylphenoxy)-7H-purin-2-amine
CID 114786919
6-(2-methyl-4-nitrophenoxy)-7H-purin-2-amine
CID 114788030
6-(5-bromo-2-fluorophenoxy)-7H-purin-2-amine
CID 114788110
6-(4-propan-2-ylphenoxy)-7H-purin-2-amine
CID 114787126
4-[(2-amino-7H-purin-6-yl)oxy]benzonitrile
CID 114787259
2-chloro-6-(5-chloro-2-methylphenoxy)-7H-purine
CID 104787024
6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine
CID 5329518
6-(naphthalen-1-ylmethoxy)-7H-purin-2-amine
CID 5329522
6-[(3-aminophenyl)methoxy]-7H-purin-2-amine
CID 5329517

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylphenoxy)-7H-purin-2-amine?
The IUPAC name of 6-(2,3-dimethylphenoxy)-7H-purin-2-amine (CID 114787154) is 6-(2,3-dimethylphenoxy)-7H-purin-2-amine.
What is the SMILES notation for 6-(2,3-dimethylphenoxy)-7H-purin-2-amine?
The canonical SMILES for 6-(2,3-dimethylphenoxy)-7H-purin-2-amine is Cc1cccc(Oc2nc(N)nc3nc[nH]c23)c1C.
What is the InChIKey of 6-(2,3-dimethylphenoxy)-7H-purin-2-amine?
The InChIKey is UJZIVDSZCOUAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-7-4-3-5-9(8(7)2)19-12-10-11(16-6-15-10)17-13(14)18-12/h3-6H,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 6-(2,3-dimethylphenoxy)-7H-purin-2-amine?
6-(2,3-dimethylphenoxy)-7H-purin-2-amine has a molecular weight of 255.28 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylphenoxy)-7H-purin-2-amine is sourced from PubChem (CID 114787154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).