8-(4-aminocyclohexyl)-6-N-(4-morpholin-4-ylphenyl)-9-phenylpurine-2,6-diamine

C27H32N8O — CID 67088253

IUPAC8-(4-aminocyclohexyl)-6-N-(4-morpholin-4-ylphenyl)-9-phenylpurine-2,6-diamine
SMILESNc1nc(Nc2ccc(N3CCOCC3)cc2)c2nc(C3CCC(N)CC3)n(-c3ccccc3)c2n1
InChIInChI=1S/C27H32N8O/c28-19-8-6-18(7-9-19)25-31-23-24(30-20-10-12-21(13-11-20)34-14-16-36-17-15-34)32-27(29)33-26(23)35(25)22-4-2-1-3-5-22/h1-5,10-13,18-19H,6-9,14-17,28H2,(H3,29,30,32,33)
InChIKeyJZUSEBOEVWAQRB-UHFFFAOYSA-N
MW484.61 g/mol
LogP3.96
Rot. Bonds5

About 8-(4-aminocyclohexyl)-6-N-(4-morpholin-4-ylphenyl)-9-phenylpurine-2,6-diamine

8-(4-aminocyclohexyl)-6-N-(4-morpholin-4-ylphenyl)-9-phenylpurine-2,6-diamine (PubChem CID 67088253) has the molecular formula C27H32N8O and a molecular weight of 484.61 g/mol. Its IUPAC name is 8-(4-aminocyclohexyl)-6-N-(4-morpholin-4-ylphenyl)-9-phenylpurine-2,6-diamine.

Molecular Properties

Compound Name8-(4-aminocyclohexyl)-6-N-(4-morpholin-4-ylphenyl)-9-phenylpurine-2,6-diamine
PubChem CID67088253
Molecular FormulaC27H32N8O
Molecular Weight484.61 g/mol
Exact Mass484.27
IUPAC Name8-(4-aminocyclohexyl)-6-N-(4-morpholin-4-ylphenyl)-9-phenylpurine-2,6-diamine
SMILESNc1nc(Nc2ccc(N3CCOCC3)cc2)c2nc(C3CCC(N)CC3)n(-c3ccccc3)c2n1
InChIInChI=1S/C27H32N8O/c28-19-8-6-18(7-9-19)25-31-23-24(30-20-10-12-21(13-11-20)34-14-16-36-17-15-34)32-27(29)33-26(23)35(25)22-4-2-1-3-5-22/h1-5,10-13,18-19H,6-9,14-17,28H2,(H3,29,30,32,33)
InChIKeyJZUSEBOEVWAQRB-UHFFFAOYSA-N
XLogP3.96
TPSA120.14 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.61
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-morpholin-4-yl-N-phenylaniline
CID 159018746
9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylpurin-6-amine
CID 117085834
N-(4-morpholin-4-ylphenyl)-2,9-diphenylpurin-6-amine
CID 117081365
5-fluoro-4-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 80811982
1-(4-aminocyclohexyl)-6-N-(4-morpholin-4-ylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 68774816
1-(4-morpholin-4-ylphenyl)piperidin-4-amine
CID 63180022
8-N-(4-morpholin-4-ylphenyl)-6-N-phenyl-9-propan-2-ylpurine-6,8-diamine
CID 117092748
5-fluoro-3-N-(4-morpholin-4-ylphenyl)benzene-1,3-diamine
CID 63179447
6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 22115031
6-N-(4-morpholin-4-ylphenyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117082186
5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine
CID 152621698
N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 993401

Frequently Asked Questions

What is the IUPAC name of 8-(4-aminocyclohexyl)-6-N-(4-morpholin-4-ylphenyl)-9-phenylpurine-2,6-diamine?
The IUPAC name of 8-(4-aminocyclohexyl)-6-N-(4-morpholin-4-ylphenyl)-9-phenylpurine-2,6-diamine (CID 67088253) is 8-(4-aminocyclohexyl)-6-N-(4-morpholin-4-ylphenyl)-9-phenylpurine-2,6-diamine.
What is the SMILES notation for 8-(4-aminocyclohexyl)-6-N-(4-morpholin-4-ylphenyl)-9-phenylpurine-2,6-diamine?
The canonical SMILES for 8-(4-aminocyclohexyl)-6-N-(4-morpholin-4-ylphenyl)-9-phenylpurine-2,6-diamine is Nc1nc(Nc2ccc(N3CCOCC3)cc2)c2nc(C3CCC(N)CC3)n(-c3ccccc3)c2n1.
What is the InChIKey of 8-(4-aminocyclohexyl)-6-N-(4-morpholin-4-ylphenyl)-9-phenylpurine-2,6-diamine?
The InChIKey is JZUSEBOEVWAQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O/c28-19-8-6-18(7-9-19)25-31-23-24(30-20-10-12-21(13-11-20)34-14-16-36-17-15-34)32-27(29)33-26(23)35(25)22-4-2-1-3-5-22/h1-5,10-13,18-19H,6-9,14-17,28H2,(H3,29,30,32,33).
What are the key properties of 8-(4-aminocyclohexyl)-6-N-(4-morpholin-4-ylphenyl)-9-phenylpurine-2,6-diamine?
8-(4-aminocyclohexyl)-6-N-(4-morpholin-4-ylphenyl)-9-phenylpurine-2,6-diamine has a molecular weight of 484.61 g/mol, XLogP of 3.96, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-aminocyclohexyl)-6-N-(4-morpholin-4-ylphenyl)-9-phenylpurine-2,6-diamine is sourced from PubChem (CID 67088253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).