N-ethyl-6-(4-fluoro-2-methylphenoxy)-7H-purin-2-amine

C14H14FN5O — CID 114787967

IUPACN-ethyl-6-(4-fluoro-2-methylphenoxy)-7H-purin-2-amine
SMILESCCNc1nc(Oc2ccc(F)cc2C)c2[nH]cnc2n1
InChIInChI=1S/C14H14FN5O/c1-3-16-14-19-12-11(17-7-18-12)13(20-14)21-10-5-4-9(15)6-8(10)2/h4-7H,3H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyPFSJMZCIKFLCED-UHFFFAOYSA-N
MW287.30 g/mol
LogP3.02
Rot. Bonds4

About N-ethyl-6-(4-fluoro-2-methylphenoxy)-7H-purin-2-amine

N-ethyl-6-(4-fluoro-2-methylphenoxy)-7H-purin-2-amine (PubChem CID 114787967) has the molecular formula C14H14FN5O and a molecular weight of 287.30 g/mol. Its IUPAC name is N-ethyl-6-(4-fluoro-2-methylphenoxy)-7H-purin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(4-fluoro-2-methylphenoxy)-7H-purin-2-amine
PubChem CID114787967
Molecular FormulaC14H14FN5O
Molecular Weight287.30 g/mol
Exact Mass287.12
IUPAC NameN-ethyl-6-(4-fluoro-2-methylphenoxy)-7H-purin-2-amine
SMILESCCNc1nc(Oc2ccc(F)cc2C)c2[nH]cnc2n1
InChIInChI=1S/C14H14FN5O/c1-3-16-14-19-12-11(17-7-18-12)13(20-14)21-10-5-4-9(15)6-8(10)2/h4-7H,3H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyPFSJMZCIKFLCED-UHFFFAOYSA-N
XLogP3.02
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 53.02
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
6-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine
CID 114787415
N-ethyl-6-[(6-methyl-3-pyridinyl)oxy]-7H-purin-2-amine
CID 114787606
2-N-ethyl-6-N-(4-fluorophenyl)-7H-purine-2,6-diamine
CID 114783490
N-ethyl-6-(2-methylbutan-2-yloxy)-7H-purin-2-amine
CID 114786811
6-N-(2-chloro-4-fluorophenyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114783285
6-[2-(dimethylamino)ethoxy]-N-ethyl-7H-purin-2-amine
CID 114787500
N-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine
CID 114786807
2-N-ethyl-6-N-(2-fluoro-5-methylphenyl)-7H-purine-2,6-diamine
CID 114783352
6-(5-bromo-2-fluorophenoxy)-N-methyl-7H-purin-2-amine
CID 114788112
6-propan-2-yloxy-N-propyl-7H-purin-2-amine
CID 114786891

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(4-fluoro-2-methylphenoxy)-7H-purin-2-amine?
The IUPAC name of N-ethyl-6-(4-fluoro-2-methylphenoxy)-7H-purin-2-amine (CID 114787967) is N-ethyl-6-(4-fluoro-2-methylphenoxy)-7H-purin-2-amine.
What is the SMILES notation for N-ethyl-6-(4-fluoro-2-methylphenoxy)-7H-purin-2-amine?
The canonical SMILES for N-ethyl-6-(4-fluoro-2-methylphenoxy)-7H-purin-2-amine is CCNc1nc(Oc2ccc(F)cc2C)c2[nH]cnc2n1.
What is the InChIKey of N-ethyl-6-(4-fluoro-2-methylphenoxy)-7H-purin-2-amine?
The InChIKey is PFSJMZCIKFLCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O/c1-3-16-14-19-12-11(17-7-18-12)13(20-14)21-10-5-4-9(15)6-8(10)2/h4-7H,3H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of N-ethyl-6-(4-fluoro-2-methylphenoxy)-7H-purin-2-amine?
N-ethyl-6-(4-fluoro-2-methylphenoxy)-7H-purin-2-amine has a molecular weight of 287.30 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(4-fluoro-2-methylphenoxy)-7H-purin-2-amine is sourced from PubChem (CID 114787967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).