N,N-dimethyl-4-[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide

C25H33N9O2 — CID 175967256

IUPACN,N-dimethyl-4-[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide
SMILESCc1cccc(C=NNc2nc(N3CCOCC3)nc3c2ncn3C2CCN(C(=O)N(C)C)CC2)c1
InChIInChI=1S/C25H33N9O2/c1-18-5-4-6-19(15-18)16-27-30-22-21-23(29-24(28-22)32-11-13-36-14-12-32)34(17-26-21)20-7-9-33(10-8-20)25(35)31(2)3/h4-6,15-17,20H,7-14H2,1-3H3,(H,28,29,30)
InChIKeyGJKZYWZLILQNJO-UHFFFAOYSA-N
MW491.60 g/mol
LogP2.74
Rot. Bonds5

About N,N-dimethyl-4-[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide

N,N-dimethyl-4-[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide (PubChem CID 175967256) has the molecular formula C25H33N9O2 and a molecular weight of 491.60 g/mol. Its IUPAC name is N,N-dimethyl-4-[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide
PubChem CID175967256
Molecular FormulaC25H33N9O2
Molecular Weight491.60 g/mol
Exact Mass491.28
IUPAC NameN,N-dimethyl-4-[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide
SMILESCc1cccc(C=NNc2nc(N3CCOCC3)nc3c2ncn3C2CCN(C(=O)N(C)C)CC2)c1
InChIInChI=1S/C25H33N9O2/c1-18-5-4-6-19(15-18)16-27-30-22-21-23(29-24(28-22)32-11-13-36-14-12-32)34(17-26-21)20-7-9-33(10-8-20)25(35)31(2)3/h4-6,15-17,20H,7-14H2,1-3H3,(H,28,29,30)
InChIKeyGJKZYWZLILQNJO-UHFFFAOYSA-N
XLogP2.74
TPSA104.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine
CID 170724562
4-[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]-1H-pyridin-2-one
CID 170724540
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
3-(6-hydrazinyl-2-morpholin-4-ylpurin-9-yl)-N,N-dimethylazetidine-1-carboxamide
CID 170775454
4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpurin-9-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 51347578
N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-8-phenylquinazolin-4-amine
CID 170724764
2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide
CID 58285342
N-(3-chlorophenyl)-9-[(E)-(3-methylphenyl)methylideneamino]-2-morpholin-4-ylpurin-6-amine
CID 170724596
N-cyclobutyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 155343098

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide (CID 175967256) is N,N-dimethyl-4-[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide is Cc1cccc(C=NNc2nc(N3CCOCC3)nc3c2ncn3C2CCN(C(=O)N(C)C)CC2)c1.
What is the InChIKey of N,N-dimethyl-4-[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide?
The InChIKey is GJKZYWZLILQNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N9O2/c1-18-5-4-6-19(15-18)16-27-30-22-21-23(29-24(28-22)32-11-13-36-14-12-32)34(17-26-21)20-7-9-33(10-8-20)25(35)31(2)3/h4-6,15-17,20H,7-14H2,1-3H3,(H,28,29,30).
What are the key properties of N,N-dimethyl-4-[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide?
N,N-dimethyl-4-[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide has a molecular weight of 491.60 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide is sourced from PubChem (CID 175967256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).