6-(cyclohexylmethoxy)-N-(4-fluorophenyl)-7H-purin-2-amine

C18H20FN5O — CID 5329558

IUPAC6-(cyclohexylmethoxy)-N-(4-fluorophenyl)-7H-purin-2-amine
SMILESFc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C18H20FN5O/c19-13-6-8-14(9-7-13)22-18-23-16-15(20-11-21-16)17(24-18)25-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,20,21,22,23,24)
InChIKeyUEWGJZTVOIUVGM-UHFFFAOYSA-N
MW341.39 g/mol
LogP4.19
Rot. Bonds5

About 6-(cyclohexylmethoxy)-N-(4-fluorophenyl)-7H-purin-2-amine

6-(cyclohexylmethoxy)-N-(4-fluorophenyl)-7H-purin-2-amine (PubChem CID 5329558) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is 6-(cyclohexylmethoxy)-N-(4-fluorophenyl)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(cyclohexylmethoxy)-N-(4-fluorophenyl)-7H-purin-2-amine
PubChem CID5329558
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name6-(cyclohexylmethoxy)-N-(4-fluorophenyl)-7H-purin-2-amine
SMILESFc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C18H20FN5O/c19-13-6-8-14(9-7-13)22-18-23-16-15(20-11-21-16)17(24-18)25-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,20,21,22,23,24)
InChIKeyUEWGJZTVOIUVGM-UHFFFAOYSA-N
XLogP4.19
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethoxy)-N-(4-fluorophenyl)-7H-purin-2-amine?
The IUPAC name of 6-(cyclohexylmethoxy)-N-(4-fluorophenyl)-7H-purin-2-amine (CID 5329558) is 6-(cyclohexylmethoxy)-N-(4-fluorophenyl)-7H-purin-2-amine.
What is the SMILES notation for 6-(cyclohexylmethoxy)-N-(4-fluorophenyl)-7H-purin-2-amine?
The canonical SMILES for 6-(cyclohexylmethoxy)-N-(4-fluorophenyl)-7H-purin-2-amine is Fc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1.
What is the InChIKey of 6-(cyclohexylmethoxy)-N-(4-fluorophenyl)-7H-purin-2-amine?
The InChIKey is UEWGJZTVOIUVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c19-13-6-8-14(9-7-13)22-18-23-16-15(20-11-21-16)17(24-18)25-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,20,21,22,23,24).
What are the key properties of 6-(cyclohexylmethoxy)-N-(4-fluorophenyl)-7H-purin-2-amine?
6-(cyclohexylmethoxy)-N-(4-fluorophenyl)-7H-purin-2-amine has a molecular weight of 341.39 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethoxy)-N-(4-fluorophenyl)-7H-purin-2-amine is sourced from PubChem (CID 5329558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).