(E)-1-(3-methylphenyl)-N-(2-morpholin-4-yl-6-phenylmethoxypurin-9-yl)methanimine

C24H24N6O2 — CID 170724680

IUPAC(E)-1-(3-methylphenyl)-N-(2-morpholin-4-yl-6-phenylmethoxypurin-9-yl)methanimine
SMILESCc1cccc(/C=N/n2cnc3c(OCc4ccccc4)nc(N4CCOCC4)nc32)c1
InChIInChI=1S/C24H24N6O2/c1-18-6-5-9-20(14-18)15-26-30-17-25-21-22(30)27-24(29-10-12-31-13-11-29)28-23(21)32-16-19-7-3-2-4-8-19/h2-9,14-15,17H,10-13,16H2,1H3/b26-15+
InChIKeyPBDFKVKTNXYSOV-CVKSISIWSA-N
MW428.50 g/mol
LogP3.43
Rot. Bonds6

About (E)-1-(3-methylphenyl)-N-(2-morpholin-4-yl-6-phenylmethoxypurin-9-yl)methanimine

(E)-1-(3-methylphenyl)-N-(2-morpholin-4-yl-6-phenylmethoxypurin-9-yl)methanimine (PubChem CID 170724680) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is (E)-1-(3-methylphenyl)-N-(2-morpholin-4-yl-6-phenylmethoxypurin-9-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(3-methylphenyl)-N-(2-morpholin-4-yl-6-phenylmethoxypurin-9-yl)methanimine
PubChem CID170724680
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name(E)-1-(3-methylphenyl)-N-(2-morpholin-4-yl-6-phenylmethoxypurin-9-yl)methanimine
SMILESCc1cccc(/C=N/n2cnc3c(OCc4ccccc4)nc(N4CCOCC4)nc32)c1
InChIInChI=1S/C24H24N6O2/c1-18-6-5-9-20(14-18)15-26-30-17-25-21-22(30)27-24(29-10-12-31-13-11-29)28-23(21)32-16-19-7-3-2-4-8-19/h2-9,14-15,17H,10-13,16H2,1H3/b26-15+
InChIKeyPBDFKVKTNXYSOV-CVKSISIWSA-N
XLogP3.43
TPSA77.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (E)-1-(3-methylphenyl)-N-(2-morpholin-4-yl-6-phenylmethoxypurin-9-yl)methanimine 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-(3-chlorophenyl)-9-[(E)-(3-methylphenyl)methylideneamino]-2-morpholin-4-ylpurin-6-amine
CID 170724596
N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine
CID 170724562
9-(4-chlorophenyl)-N-[(E)-(3-methylphenyl)methylideneamino]-2-morpholin-4-ylpurin-6-amine
CID 170724614
N-[(E)-(3-methylphenyl)methylideneamino]-9-(3-methyl-1,2-thiazol-5-yl)-2-morpholin-4-ylpurin-6-amine
CID 170724779
N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-[4-(trifluoromethyl)phenyl]purin-6-amine
CID 170724712
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-methylphenyl)methylideneamino]-2-morpholin-4-yl-8-phenylquinazolin-4-amine
CID 170724764
2-[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]-1-[3-(trifluoromethyl)phenyl]ethanone
CID 170724542
N,N-dimethyl-4-[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide
CID 175967256
9-(3-methylphenyl)-2-morpholin-4-yl-N-(naphthalen-1-ylmethyl)purin-6-amine
CID 118410510
4-methyl-6-[(3-methylphenyl)methoxy]-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 95922752

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-methylphenyl)-N-(2-morpholin-4-yl-6-phenylmethoxypurin-9-yl)methanimine?
The IUPAC name of (E)-1-(3-methylphenyl)-N-(2-morpholin-4-yl-6-phenylmethoxypurin-9-yl)methanimine (CID 170724680) is (E)-1-(3-methylphenyl)-N-(2-morpholin-4-yl-6-phenylmethoxypurin-9-yl)methanimine.
What is the SMILES notation for (E)-1-(3-methylphenyl)-N-(2-morpholin-4-yl-6-phenylmethoxypurin-9-yl)methanimine?
The canonical SMILES for (E)-1-(3-methylphenyl)-N-(2-morpholin-4-yl-6-phenylmethoxypurin-9-yl)methanimine is Cc1cccc(/C=N/n2cnc3c(OCc4ccccc4)nc(N4CCOCC4)nc32)c1.
What is the InChIKey of (E)-1-(3-methylphenyl)-N-(2-morpholin-4-yl-6-phenylmethoxypurin-9-yl)methanimine?
The InChIKey is PBDFKVKTNXYSOV-CVKSISIWSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-18-6-5-9-20(14-18)15-26-30-17-25-21-22(30)27-24(29-10-12-31-13-11-29)28-23(21)32-16-19-7-3-2-4-8-19/h2-9,14-15,17H,10-13,16H2,1H3/b26-15+.
What are the key properties of (E)-1-(3-methylphenyl)-N-(2-morpholin-4-yl-6-phenylmethoxypurin-9-yl)methanimine?
(E)-1-(3-methylphenyl)-N-(2-morpholin-4-yl-6-phenylmethoxypurin-9-yl)methanimine has a molecular weight of 428.50 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-methylphenyl)-N-(2-morpholin-4-yl-6-phenylmethoxypurin-9-yl)methanimine is sourced from PubChem (CID 170724680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).