N-[2-(4-fluorophenyl)ethyl]-9-(oxolan-2-ylmethyl)purin-6-amine

C18H20FN5O — CID 163354368

IUPACN-[2-(4-fluorophenyl)ethyl]-9-(oxolan-2-ylmethyl)purin-6-amine
SMILESFc1ccc(CCNc2ncnc3c2ncn3CC2CCCO2)cc1
InChIInChI=1S/C18H20FN5O/c19-14-5-3-13(4-6-14)7-8-20-17-16-18(22-11-21-17)24(12-23-16)10-15-2-1-9-25-15/h3-6,11-12,15H,1-2,7-10H2,(H,20,21,22)
InChIKeyWZZHIIUQYDXTRV-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.80
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-9-(oxolan-2-ylmethyl)purin-6-amine

N-[2-(4-fluorophenyl)ethyl]-9-(oxolan-2-ylmethyl)purin-6-amine (PubChem CID 163354368) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-9-(oxolan-2-ylmethyl)purin-6-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-9-(oxolan-2-ylmethyl)purin-6-amine
PubChem CID163354368
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-9-(oxolan-2-ylmethyl)purin-6-amine
SMILESFc1ccc(CCNc2ncnc3c2ncn3CC2CCCO2)cc1
InChIInChI=1S/C18H20FN5O/c19-14-5-3-13(4-6-14)7-8-20-17-16-18(22-11-21-17)24(12-23-16)10-15-2-1-9-25-15/h3-6,11-12,15H,1-2,7-10H2,(H,20,21,22)
InChIKeyWZZHIIUQYDXTRV-UHFFFAOYSA-N
XLogP2.80
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine
CID 155799203
N-(4-chloro-3-fluorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine
CID 155799237
N-(2-chlorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine
CID 155799202
N-(2,4-dimethoxyphenyl)-9-(oxolan-2-ylmethyl)purin-6-amine
CID 155799333
9-(oxolan-2-ylmethyl)-6-piperazin-1-ylpurine
CID 155941202
6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-9-(oxolan-2-ylmethyl)purine
CID 155799077
9-ethyl-N-[(4-fluorophenyl)methyl]purin-6-amine
CID 155980707
9-ethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]purin-6-amine
CID 154775697
8-fluoro-N-(oxolan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 3553984
2-[2-(4-fluorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252355
6-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-9-(oxolan-2-ylmethyl)purine
CID 163345104
9-ethyl-N-(3-ethylphenyl)purin-6-amine;2-propyloxolane
CID 165126933

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-9-(oxolan-2-ylmethyl)purin-6-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-9-(oxolan-2-ylmethyl)purin-6-amine (CID 163354368) is N-[2-(4-fluorophenyl)ethyl]-9-(oxolan-2-ylmethyl)purin-6-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-9-(oxolan-2-ylmethyl)purin-6-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-9-(oxolan-2-ylmethyl)purin-6-amine is Fc1ccc(CCNc2ncnc3c2ncn3CC2CCCO2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-9-(oxolan-2-ylmethyl)purin-6-amine?
The InChIKey is WZZHIIUQYDXTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c19-14-5-3-13(4-6-14)7-8-20-17-16-18(22-11-21-17)24(12-23-16)10-15-2-1-9-25-15/h3-6,11-12,15H,1-2,7-10H2,(H,20,21,22).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-9-(oxolan-2-ylmethyl)purin-6-amine?
N-[2-(4-fluorophenyl)ethyl]-9-(oxolan-2-ylmethyl)purin-6-amine has a molecular weight of 341.39 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-9-(oxolan-2-ylmethyl)purin-6-amine is sourced from PubChem (CID 163354368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).