N-cyclohexyl-2-phenoxy-7H-purin-6-amine

C17H19N5O — CID 11771279

IUPACN-cyclohexyl-2-phenoxy-7H-purin-6-amine
SMILESc1ccc(Oc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C17H19N5O/c1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)21-17(22-16)23-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H2,18,19,20,21,22)
InChIKeyOGCQBCHLFMBCCE-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.89
Rot. Bonds4

About N-cyclohexyl-2-phenoxy-7H-purin-6-amine

N-cyclohexyl-2-phenoxy-7H-purin-6-amine (PubChem CID 11771279) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-cyclohexyl-2-phenoxy-7H-purin-6-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-phenoxy-7H-purin-6-amine
PubChem CID11771279
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-cyclohexyl-2-phenoxy-7H-purin-6-amine
SMILESc1ccc(Oc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C17H19N5O/c1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)21-17(22-16)23-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H2,18,19,20,21,22)
InChIKeyOGCQBCHLFMBCCE-UHFFFAOYSA-N
XLogP3.89
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-2-phenoxy-7H-purin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-phenoxy-7H-purin-6-amine?
The IUPAC name of N-cyclohexyl-2-phenoxy-7H-purin-6-amine (CID 11771279) is N-cyclohexyl-2-phenoxy-7H-purin-6-amine.
What is the SMILES notation for N-cyclohexyl-2-phenoxy-7H-purin-6-amine?
The canonical SMILES for N-cyclohexyl-2-phenoxy-7H-purin-6-amine is c1ccc(Oc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1.
What is the InChIKey of N-cyclohexyl-2-phenoxy-7H-purin-6-amine?
The InChIKey is OGCQBCHLFMBCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)21-17(22-16)23-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H2,18,19,20,21,22).
What are the key properties of N-cyclohexyl-2-phenoxy-7H-purin-6-amine?
N-cyclohexyl-2-phenoxy-7H-purin-6-amine has a molecular weight of 309.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-phenoxy-7H-purin-6-amine is sourced from PubChem (CID 11771279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).