8-N-(4-morpholin-4-ylphenyl)-6-N-phenyl-9-propan-2-ylpurine-6,8-diamine

C24H27N7O — CID 117092748

IUPAC8-N-(4-morpholin-4-ylphenyl)-6-N-phenyl-9-propan-2-ylpurine-6,8-diamine
SMILESCC(C)n1c(Nc2ccc(N3CCOCC3)cc2)nc2c(Nc3ccccc3)ncnc21
InChIInChI=1S/C24H27N7O/c1-17(2)31-23-21(22(25-16-26-23)27-18-6-4-3-5-7-18)29-24(31)28-19-8-10-20(11-9-19)30-12-14-32-15-13-30/h3-11,16-17H,12-15H2,1-2H3,(H,28,29)(H,25,26,27)
InChIKeyAZLZJEBSQPEMLN-UHFFFAOYSA-N
MW429.53 g/mol
LogP4.73
Rot. Bonds6

About 8-N-(4-morpholin-4-ylphenyl)-6-N-phenyl-9-propan-2-ylpurine-6,8-diamine

8-N-(4-morpholin-4-ylphenyl)-6-N-phenyl-9-propan-2-ylpurine-6,8-diamine (PubChem CID 117092748) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 8-N-(4-morpholin-4-ylphenyl)-6-N-phenyl-9-propan-2-ylpurine-6,8-diamine.

Molecular Properties

Compound Name8-N-(4-morpholin-4-ylphenyl)-6-N-phenyl-9-propan-2-ylpurine-6,8-diamine
PubChem CID117092748
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name8-N-(4-morpholin-4-ylphenyl)-6-N-phenyl-9-propan-2-ylpurine-6,8-diamine
SMILESCC(C)n1c(Nc2ccc(N3CCOCC3)cc2)nc2c(Nc3ccccc3)ncnc21
InChIInChI=1S/C24H27N7O/c1-17(2)31-23-21(22(25-16-26-23)27-18-6-4-3-5-7-18)29-24(31)28-19-8-10-20(11-9-19)30-12-14-32-15-13-30/h3-11,16-17H,12-15H2,1-2H3,(H,28,29)(H,25,26,27)
InChIKeyAZLZJEBSQPEMLN-UHFFFAOYSA-N
XLogP4.73
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 8-N-(4-morpholin-4-ylphenyl)-6-N-phenyl-9-propan-2-ylpurine-6,8-diamine 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)-9-propan-2-yl-8-(1,3,5-trimethylpyrazol-4-yl)purin-6-amine
CID 117081075
6-N-phenyl-9-propan-2-yl-8-N-(3,4,5-trimethoxyphenyl)purine-6,8-diamine
CID 117093754
8-N-phenyl-9-propan-2-yl-6-N-(3,4,5-trimethoxyphenyl)purine-6,8-diamine
CID 117092444
6-N-(4-morpholin-4-ylphenyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117082186
N,8-diphenyl-9-propan-2-ylpurin-6-amine
CID 117092948
N-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 993401
6-N-[2-[di(propan-2-yl)amino]ethyl]-8-N-phenyl-9-propan-2-ylpurine-6,8-diamine
CID 117091762
N-phenyl-9-propan-2-yl-8-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine
CID 117082889
4-morpholin-4-yl-N-phenylaniline
CID 159018746
8-morpholin-4-yl-N-(2-phenoxyethyl)-9-propan-2-ylpurin-6-amine
CID 117085681
2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine
CID 117079543
8-N-phenyl-9-propan-2-yl-6-N-[[3-(trifluoromethyl)phenyl]methyl]purine-6,8-diamine
CID 117093011

Frequently Asked Questions

What is the IUPAC name of 8-N-(4-morpholin-4-ylphenyl)-6-N-phenyl-9-propan-2-ylpurine-6,8-diamine?
The IUPAC name of 8-N-(4-morpholin-4-ylphenyl)-6-N-phenyl-9-propan-2-ylpurine-6,8-diamine (CID 117092748) is 8-N-(4-morpholin-4-ylphenyl)-6-N-phenyl-9-propan-2-ylpurine-6,8-diamine.
What is the SMILES notation for 8-N-(4-morpholin-4-ylphenyl)-6-N-phenyl-9-propan-2-ylpurine-6,8-diamine?
The canonical SMILES for 8-N-(4-morpholin-4-ylphenyl)-6-N-phenyl-9-propan-2-ylpurine-6,8-diamine is CC(C)n1c(Nc2ccc(N3CCOCC3)cc2)nc2c(Nc3ccccc3)ncnc21.
What is the InChIKey of 8-N-(4-morpholin-4-ylphenyl)-6-N-phenyl-9-propan-2-ylpurine-6,8-diamine?
The InChIKey is AZLZJEBSQPEMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-17(2)31-23-21(22(25-16-26-23)27-18-6-4-3-5-7-18)29-24(31)28-19-8-10-20(11-9-19)30-12-14-32-15-13-30/h3-11,16-17H,12-15H2,1-2H3,(H,28,29)(H,25,26,27).
What are the key properties of 8-N-(4-morpholin-4-ylphenyl)-6-N-phenyl-9-propan-2-ylpurine-6,8-diamine?
8-N-(4-morpholin-4-ylphenyl)-6-N-phenyl-9-propan-2-ylpurine-6,8-diamine has a molecular weight of 429.53 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(4-morpholin-4-ylphenyl)-6-N-phenyl-9-propan-2-ylpurine-6,8-diamine is sourced from PubChem (CID 117092748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).