N-(3-chlorophenyl)-9-[(E)-(3-methylphenyl)methylideneamino]-2-morpholin-4-ylpurin-6-amine

C23H22ClN7O — CID 170724596

IUPACN-(3-chlorophenyl)-9-[(E)-(3-methylphenyl)methylideneamino]-2-morpholin-4-ylpurin-6-amine
SMILESCc1cccc(/C=N/n2cnc3c(Nc4cccc(Cl)c4)nc(N4CCOCC4)nc32)c1
InChIInChI=1S/C23H22ClN7O/c1-16-4-2-5-17(12-16)14-26-31-15-25-20-21(27-19-7-3-6-18(24)13-19)28-23(29-22(20)31)30-8-10-32-11-9-30/h2-7,12-15H,8-11H2,1H3,(H,27,28,29)/b26-14+
InChIKeyZASATXQVJGDOJM-VULFUBBASA-N
MW447.93 g/mol
LogP4.25
Rot. Bonds5

About N-(3-chlorophenyl)-9-[(E)-(3-methylphenyl)methylideneamino]-2-morpholin-4-ylpurin-6-amine

N-(3-chlorophenyl)-9-[(E)-(3-methylphenyl)methylideneamino]-2-morpholin-4-ylpurin-6-amine (PubChem CID 170724596) has the molecular formula C23H22ClN7O and a molecular weight of 447.93 g/mol. Its IUPAC name is N-(3-chlorophenyl)-9-[(E)-(3-methylphenyl)methylideneamino]-2-morpholin-4-ylpurin-6-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-9-[(E)-(3-methylphenyl)methylideneamino]-2-morpholin-4-ylpurin-6-amine
PubChem CID170724596
Molecular FormulaC23H22ClN7O
Molecular Weight447.93 g/mol
Exact Mass447.16
IUPAC NameN-(3-chlorophenyl)-9-[(E)-(3-methylphenyl)methylideneamino]-2-morpholin-4-ylpurin-6-amine
SMILESCc1cccc(/C=N/n2cnc3c(Nc4cccc(Cl)c4)nc(N4CCOCC4)nc32)c1
InChIInChI=1S/C23H22ClN7O/c1-16-4-2-5-17(12-16)14-26-31-15-25-20-21(27-19-7-3-6-18(24)13-19)28-23(29-22(20)31)30-8-10-32-11-9-30/h2-7,12-15H,8-11H2,1H3,(H,27,28,29)/b26-14+
InChIKeyZASATXQVJGDOJM-VULFUBBASA-N
XLogP4.25
TPSA80.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(3-chlorophenyl)-9-[(E)-(3-methylphenyl)methylideneamino]-2-morpholin-4-ylpurin-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

(E)-1-(3-methylphenyl)-N-(2-morpholin-4-yl-6-phenylmethoxypurin-9-yl)methanimine
CID 170724680
9-(4-chlorophenyl)-N-[(E)-(3-methylphenyl)methylideneamino]-2-morpholin-4-ylpurin-6-amine
CID 170724614
N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine
CID 170724562
N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-[4-(trifluoromethyl)phenyl]purin-6-amine
CID 170724712
N-[(E)-(3-methylphenyl)methylideneamino]-9-(3-methyl-1,2-thiazol-5-yl)-2-morpholin-4-ylpurin-6-amine
CID 170724779
N-(2,6-dichloropurin-9-yl)-1-(3-methylphenyl)methanimine
CID 175967473
4-[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]-1H-pyridin-2-one
CID 170724540
N-(3-chlorophenyl)-2-piperazin-1-yl-9-propan-2-ylpurin-6-amine
CID 10429330
N,N-dimethyl-4-[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide
CID 175967256
2-[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]-1-[3-(trifluoromethyl)phenyl]ethanone
CID 170724542
N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-8-phenylquinazolin-4-amine
CID 170724764
9-(3-methylphenyl)-2-morpholin-4-yl-N-(naphthalen-1-ylmethyl)purin-6-amine
CID 118410510

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-9-[(E)-(3-methylphenyl)methylideneamino]-2-morpholin-4-ylpurin-6-amine?
The IUPAC name of N-(3-chlorophenyl)-9-[(E)-(3-methylphenyl)methylideneamino]-2-morpholin-4-ylpurin-6-amine (CID 170724596) is N-(3-chlorophenyl)-9-[(E)-(3-methylphenyl)methylideneamino]-2-morpholin-4-ylpurin-6-amine.
What is the SMILES notation for N-(3-chlorophenyl)-9-[(E)-(3-methylphenyl)methylideneamino]-2-morpholin-4-ylpurin-6-amine?
The canonical SMILES for N-(3-chlorophenyl)-9-[(E)-(3-methylphenyl)methylideneamino]-2-morpholin-4-ylpurin-6-amine is Cc1cccc(/C=N/n2cnc3c(Nc4cccc(Cl)c4)nc(N4CCOCC4)nc32)c1.
What is the InChIKey of N-(3-chlorophenyl)-9-[(E)-(3-methylphenyl)methylideneamino]-2-morpholin-4-ylpurin-6-amine?
The InChIKey is ZASATXQVJGDOJM-VULFUBBASA-N. The full InChI is InChI=1S/C23H22ClN7O/c1-16-4-2-5-17(12-16)14-26-31-15-25-20-21(27-19-7-3-6-18(24)13-19)28-23(29-22(20)31)30-8-10-32-11-9-30/h2-7,12-15H,8-11H2,1H3,(H,27,28,29)/b26-14+.
What are the key properties of N-(3-chlorophenyl)-9-[(E)-(3-methylphenyl)methylideneamino]-2-morpholin-4-ylpurin-6-amine?
N-(3-chlorophenyl)-9-[(E)-(3-methylphenyl)methylideneamino]-2-morpholin-4-ylpurin-6-amine has a molecular weight of 447.93 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-9-[(E)-(3-methylphenyl)methylideneamino]-2-morpholin-4-ylpurin-6-amine is sourced from PubChem (CID 170724596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).