9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylpurin-6-amine

C27H30N6O — CID 117085834

IUPAC9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylpurin-6-amine
SMILESc1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)c3ncn(C4CCCCC4)c3n2)cc1
InChIInChI=1S/C27H30N6O/c1-3-7-20(8-4-1)25-30-26(24-27(31-25)33(19-28-24)23-9-5-2-6-10-23)29-21-11-13-22(14-12-21)32-15-17-34-18-16-32/h1,3-4,7-8,11-14,19,23H,2,5-6,9-10,15-18H2,(H,29,30,31)
InChIKeyRQEIOLRXTLOPKD-UHFFFAOYSA-N
MW454.58 g/mol
LogP5.58
Rot. Bonds5

About 9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylpurin-6-amine

9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylpurin-6-amine (PubChem CID 117085834) has the molecular formula C27H30N6O and a molecular weight of 454.58 g/mol. Its IUPAC name is 9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylpurin-6-amine.

Molecular Properties

Compound Name9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylpurin-6-amine
PubChem CID117085834
Molecular FormulaC27H30N6O
Molecular Weight454.58 g/mol
Exact Mass454.25
IUPAC Name9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylpurin-6-amine
SMILESc1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)c3ncn(C4CCCCC4)c3n2)cc1
InChIInChI=1S/C27H30N6O/c1-3-7-20(8-4-1)25-30-26(24-27(31-25)33(19-28-24)23-9-5-2-6-10-23)29-21-11-13-22(14-12-21)32-15-17-34-18-16-32/h1,3-4,7-8,11-14,19,23H,2,5-6,9-10,15-18H2,(H,29,30,31)
InChIKeyRQEIOLRXTLOPKD-UHFFFAOYSA-N
XLogP5.58
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.58
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylpurin-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

Related Compounds

N-(4-morpholin-4-ylphenyl)-2,9-diphenylpurin-6-amine
CID 117081365
N-[4-[[9-cyclohexyl-2-(4-morpholin-4-ylanilino)purin-6-yl]amino]phenyl]acetamide
CID 117086882
9-cyclohexyl-2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine
CID 117092719
6-N-(1H-benzimidazol-2-ylmethyl)-9-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)purine-2,6-diamine
CID 117089964
9-cyclopentyl-6-N-(4-phenylphenyl)purine-2,6-diamine
CID 57147797
4-[9-cyclohexyl-6-(4-phenoxyanilino)purin-2-yl]benzamide
CID 117093893
9-cyclohexyl-N-cyclopropyl-2-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine
CID 117089738
9-cyclohexyl-2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)purin-6-amine
CID 117089841
9-cyclohexyl-2-(6-methoxy-3-pyridinyl)-N-(4-phenoxyphenyl)purin-6-amine
CID 117093779
6-N-(4-morpholin-4-ylphenyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117082186
1-[3-[6-(4-morpholin-4-ylanilino)-9-propan-2-ylpurin-2-yl]phenyl]ethanone
CID 117083990
[3-[6-(benzylamino)-2-(4-morpholin-4-ylanilino)purin-9-yl]cyclohexyl]carbamic acid
CID 118420836

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylpurin-6-amine?
The IUPAC name of 9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylpurin-6-amine (CID 117085834) is 9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylpurin-6-amine.
What is the SMILES notation for 9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylpurin-6-amine?
The canonical SMILES for 9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylpurin-6-amine is c1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)c3ncn(C4CCCCC4)c3n2)cc1.
What is the InChIKey of 9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylpurin-6-amine?
The InChIKey is RQEIOLRXTLOPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O/c1-3-7-20(8-4-1)25-30-26(24-27(31-25)33(19-28-24)23-9-5-2-6-10-23)29-21-11-13-22(14-12-21)32-15-17-34-18-16-32/h1,3-4,7-8,11-14,19,23H,2,5-6,9-10,15-18H2,(H,29,30,31).
What are the key properties of 9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylpurin-6-amine?
9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylpurin-6-amine has a molecular weight of 454.58 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylpurin-6-amine is sourced from PubChem (CID 117085834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).