N-ethyl-6-(3-fluorophenoxy)-7H-purin-2-amine

C13H12FN5O — CID 114787286

IUPACN-ethyl-6-(3-fluorophenoxy)-7H-purin-2-amine
SMILESCCNc1nc(Oc2cccc(F)c2)c2[nH]cnc2n1
InChIInChI=1S/C13H12FN5O/c1-2-15-13-18-11-10(16-7-17-11)12(19-13)20-9-5-3-4-8(14)6-9/h3-7H,2H2,1H3,(H2,15,16,17,18,19)
InChIKeyXXJYYVYRHOBHRX-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.72
Rot. Bonds4

About N-ethyl-6-(3-fluorophenoxy)-7H-purin-2-amine

N-ethyl-6-(3-fluorophenoxy)-7H-purin-2-amine (PubChem CID 114787286) has the molecular formula C13H12FN5O and a molecular weight of 273.27 g/mol. Its IUPAC name is N-ethyl-6-(3-fluorophenoxy)-7H-purin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-fluorophenoxy)-7H-purin-2-amine
PubChem CID114787286
Molecular FormulaC13H12FN5O
Molecular Weight273.27 g/mol
Exact Mass273.10
IUPAC NameN-ethyl-6-(3-fluorophenoxy)-7H-purin-2-amine
SMILESCCNc1nc(Oc2cccc(F)c2)c2[nH]cnc2n1
InChIInChI=1S/C13H12FN5O/c1-2-15-13-18-11-10(16-7-17-11)12(19-13)20-9-5-3-4-8(14)6-9/h3-7H,2H2,1H3,(H2,15,16,17,18,19)
InChIKeyXXJYYVYRHOBHRX-UHFFFAOYSA-N
XLogP2.72
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine
CID 114787415
N-ethyl-6-(4-fluoro-2-methylphenoxy)-7H-purin-2-amine
CID 114787967
N-ethyl-6-[(6-methyl-3-pyridinyl)oxy]-7H-purin-2-amine
CID 114787606
6-(5-bromo-2-fluorophenoxy)-N-ethyl-7H-purin-2-amine
CID 114788114
N-ethyl-4-(3-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331903
6-[2-(dimethylamino)ethoxy]-N-ethyl-7H-purin-2-amine
CID 114787500
N-ethyl-6-(2-methylbutan-2-yloxy)-7H-purin-2-amine
CID 114786811
N-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine
CID 114786807
2-N-ethyl-6-N-(4-fluorophenyl)-7H-purine-2,6-diamine
CID 114783490
N-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 80869023
6-(4-bromo-3-fluorophenoxy)-N-methyl-7H-purin-2-amine
CID 114787796
6-(3-ethylphenoxy)-7H-purin-2-amine
CID 114786919

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-fluorophenoxy)-7H-purin-2-amine?
The IUPAC name of N-ethyl-6-(3-fluorophenoxy)-7H-purin-2-amine (CID 114787286) is N-ethyl-6-(3-fluorophenoxy)-7H-purin-2-amine.
What is the SMILES notation for N-ethyl-6-(3-fluorophenoxy)-7H-purin-2-amine?
The canonical SMILES for N-ethyl-6-(3-fluorophenoxy)-7H-purin-2-amine is CCNc1nc(Oc2cccc(F)c2)c2[nH]cnc2n1.
What is the InChIKey of N-ethyl-6-(3-fluorophenoxy)-7H-purin-2-amine?
The InChIKey is XXJYYVYRHOBHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5O/c1-2-15-13-18-11-10(16-7-17-11)12(19-13)20-9-5-3-4-8(14)6-9/h3-7H,2H2,1H3,(H2,15,16,17,18,19).
What are the key properties of N-ethyl-6-(3-fluorophenoxy)-7H-purin-2-amine?
N-ethyl-6-(3-fluorophenoxy)-7H-purin-2-amine has a molecular weight of 273.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-fluorophenoxy)-7H-purin-2-amine is sourced from PubChem (CID 114787286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).