N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine

C23H30N8O2 — CID 170724562

IUPACN-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine
SMILESCc1cccc(C=NNc2nc(N3CCOCC3)nc3c2ncn3CCN2CCOCC2)c1
InChIInChI=1S/C23H30N8O2/c1-18-3-2-4-19(15-18)16-25-28-21-20-22(27-23(26-21)30-9-13-33-14-10-30)31(17-24-20)6-5-29-7-11-32-12-8-29/h2-4,15-17H,5-14H2,1H3,(H,26,27,28)
InChIKeySJOLJCBUSCMSHI-UHFFFAOYSA-N
MW450.55 g/mol
LogP1.75
Rot. Bonds7

About N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine

N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine (PubChem CID 170724562) has the molecular formula C23H30N8O2 and a molecular weight of 450.55 g/mol. Its IUPAC name is N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine
PubChem CID170724562
Molecular FormulaC23H30N8O2
Molecular Weight450.55 g/mol
Exact Mass450.25
IUPAC NameN-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine
SMILESCc1cccc(C=NNc2nc(N3CCOCC3)nc3c2ncn3CCN2CCOCC2)c1
InChIInChI=1S/C23H30N8O2/c1-18-3-2-4-19(15-18)16-25-28-21-20-22(27-23(26-21)30-9-13-33-14-10-30)31(17-24-20)6-5-29-7-11-32-12-8-29/h2-4,15-17H,5-14H2,1H3,(H,26,27,28)
InChIKeySJOLJCBUSCMSHI-UHFFFAOYSA-N
XLogP1.75
TPSA92.93 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

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-[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
2-[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]-1-[3-(trifluoromethyl)phenyl]ethanone
CID 170724542
4-[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]-1H-pyridin-2-one
CID 170724540
N,N-dimethyl-4-[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide
CID 175967256
N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-8-phenylquinazolin-4-amine
CID 170724764
N-(3-chlorophenyl)-9-[(E)-(3-methylphenyl)methylideneamino]-2-morpholin-4-ylpurin-6-amine
CID 170724596
1-[[5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]methyl]cyclopropane-1-carbonitrile
CID 172568809
N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673900
2-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine
CID 11453023
(E)-1-(3-methylphenyl)-N-(2-morpholin-4-yl-6-phenylmethoxypurin-9-yl)methanimine
CID 170724680

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine?
The IUPAC name of N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine (CID 170724562) is N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine.
What is the SMILES notation for N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine?
The canonical SMILES for N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine is Cc1cccc(C=NNc2nc(N3CCOCC3)nc3c2ncn3CCN2CCOCC2)c1.
What is the InChIKey of N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine?
The InChIKey is SJOLJCBUSCMSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O2/c1-18-3-2-4-19(15-18)16-25-28-21-20-22(27-23(26-21)30-9-13-33-14-10-30)31(17-24-20)6-5-29-7-11-32-12-8-29/h2-4,15-17H,5-14H2,1H3,(H,26,27,28).
What are the key properties of N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine?
N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine has a molecular weight of 450.55 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine is sourced from PubChem (CID 170724562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).