N-ethyl-6-[(6-methyl-3-pyridinyl)oxy]-7H-purin-2-amine

C13H14N6O — CID 114787606

IUPACN-ethyl-6-[(6-methyl-3-pyridinyl)oxy]-7H-purin-2-amine
SMILESCCNc1nc(Oc2ccc(C)nc2)c2[nH]cnc2n1
InChIInChI=1S/C13H14N6O/c1-3-14-13-18-11-10(16-7-17-11)12(19-13)20-9-5-4-8(2)15-6-9/h4-7H,3H2,1-2H3,(H2,14,16,17,18,19)
InChIKeyUIBZLPJQFMOVIE-UHFFFAOYSA-N
MW270.30 g/mol
LogP2.28
Rot. Bonds4

About N-ethyl-6-[(6-methyl-3-pyridinyl)oxy]-7H-purin-2-amine

N-ethyl-6-[(6-methyl-3-pyridinyl)oxy]-7H-purin-2-amine (PubChem CID 114787606) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is N-ethyl-6-[(6-methyl-3-pyridinyl)oxy]-7H-purin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-[(6-methyl-3-pyridinyl)oxy]-7H-purin-2-amine
PubChem CID114787606
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC NameN-ethyl-6-[(6-methyl-3-pyridinyl)oxy]-7H-purin-2-amine
SMILESCCNc1nc(Oc2ccc(C)nc2)c2[nH]cnc2n1
InChIInChI=1S/C13H14N6O/c1-3-14-13-18-11-10(16-7-17-11)12(19-13)20-9-5-4-8(2)15-6-9/h4-7H,3H2,1-2H3,(H2,14,16,17,18,19)
InChIKeyUIBZLPJQFMOVIE-UHFFFAOYSA-N
XLogP2.28
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine
CID 114787415
N-ethyl-6-(3-fluorophenoxy)-7H-purin-2-amine
CID 114787286
N-ethyl-6-(4-fluoro-2-methylphenoxy)-7H-purin-2-amine
CID 114787967
N-ethyl-6-(4-methoxyphenyl)-7H-purin-2-amine
CID 123670391
N-methyl-6-(4-propylphenoxy)-7H-purin-2-amine
CID 114787620
N-ethyl-6-(2-methylbutan-2-yloxy)-7H-purin-2-amine
CID 114786811
6-(5-bromo-2-fluorophenoxy)-N-ethyl-7H-purin-2-amine
CID 114788114
6-[2-(dimethylamino)ethoxy]-N-ethyl-7H-purin-2-amine
CID 114787500
N-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine
CID 114786807
N-ethyl-6-(2-methylcyclohexyl)oxy-7H-purin-2-amine
CID 114786879
6-(2,6-dimethyloxan-4-yl)oxy-N-ethyl-7H-purin-2-amine
CID 114788027
2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]-7H-purine-2,6-diamine
CID 114785046

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(6-methyl-3-pyridinyl)oxy]-7H-purin-2-amine?
The IUPAC name of N-ethyl-6-[(6-methyl-3-pyridinyl)oxy]-7H-purin-2-amine (CID 114787606) is N-ethyl-6-[(6-methyl-3-pyridinyl)oxy]-7H-purin-2-amine.
What is the SMILES notation for N-ethyl-6-[(6-methyl-3-pyridinyl)oxy]-7H-purin-2-amine?
The canonical SMILES for N-ethyl-6-[(6-methyl-3-pyridinyl)oxy]-7H-purin-2-amine is CCNc1nc(Oc2ccc(C)nc2)c2[nH]cnc2n1.
What is the InChIKey of N-ethyl-6-[(6-methyl-3-pyridinyl)oxy]-7H-purin-2-amine?
The InChIKey is UIBZLPJQFMOVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-3-14-13-18-11-10(16-7-17-11)12(19-13)20-9-5-4-8(2)15-6-9/h4-7H,3H2,1-2H3,(H2,14,16,17,18,19).
What are the key properties of N-ethyl-6-[(6-methyl-3-pyridinyl)oxy]-7H-purin-2-amine?
N-ethyl-6-[(6-methyl-3-pyridinyl)oxy]-7H-purin-2-amine has a molecular weight of 270.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(6-methyl-3-pyridinyl)oxy]-7H-purin-2-amine is sourced from PubChem (CID 114787606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).