6-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine

C13H11F2N5O — CID 114787415

IUPAC6-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine
SMILESCCNc1nc(Oc2ccc(F)c(F)c2)c2[nH]cnc2n1
InChIInChI=1S/C13H11F2N5O/c1-2-16-13-19-11-10(17-6-18-11)12(20-13)21-7-3-4-8(14)9(15)5-7/h3-6H,2H2,1H3,(H2,16,17,18,19,20)
InChIKeyYIZIKNGPDIWPKE-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.86
Rot. Bonds4

About 6-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine

6-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine (PubChem CID 114787415) has the molecular formula C13H11F2N5O and a molecular weight of 291.26 g/mol. Its IUPAC name is 6-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine
PubChem CID114787415
Molecular FormulaC13H11F2N5O
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC Name6-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine
SMILESCCNc1nc(Oc2ccc(F)c(F)c2)c2[nH]cnc2n1
InChIInChI=1S/C13H11F2N5O/c1-2-16-13-19-11-10(17-6-18-11)12(20-13)21-7-3-4-8(14)9(15)5-7/h3-6H,2H2,1H3,(H2,16,17,18,19,20)
InChIKeyYIZIKNGPDIWPKE-UHFFFAOYSA-N
XLogP2.86
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-(3-fluorophenoxy)-7H-purin-2-amine
CID 114787286
6-(5-bromo-2-fluorophenoxy)-N-ethyl-7H-purin-2-amine
CID 114788114
N-ethyl-6-[(6-methyl-3-pyridinyl)oxy]-7H-purin-2-amine
CID 114787606
N-ethyl-6-(4-fluoro-2-methylphenoxy)-7H-purin-2-amine
CID 114787967
6-(4-bromo-3-fluorophenoxy)-N-methyl-7H-purin-2-amine
CID 114787796
N-methyl-6-(4-propylphenoxy)-7H-purin-2-amine
CID 114787620
N-ethyl-6-(2-methylbutan-2-yloxy)-7H-purin-2-amine
CID 114786811
N-ethyl-6-(4-methoxyphenyl)-7H-purin-2-amine
CID 123670391
6-[2-(dimethylamino)ethoxy]-N-ethyl-7H-purin-2-amine
CID 114787500
2-N-ethyl-6-N-(2-fluoro-5-methylphenyl)-7H-purine-2,6-diamine
CID 114783352
N-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine
CID 114786807
6-(5-bromo-2-fluorophenoxy)-N-methyl-7H-purin-2-amine
CID 114788112

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine?
The IUPAC name of 6-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine (CID 114787415) is 6-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine.
What is the SMILES notation for 6-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine?
The canonical SMILES for 6-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine is CCNc1nc(Oc2ccc(F)c(F)c2)c2[nH]cnc2n1.
What is the InChIKey of 6-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine?
The InChIKey is YIZIKNGPDIWPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N5O/c1-2-16-13-19-11-10(17-6-18-11)12(20-13)21-7-3-4-8(14)9(15)5-7/h3-6H,2H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 6-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine?
6-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine has a molecular weight of 291.26 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine is sourced from PubChem (CID 114787415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).