N-cyclohexyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-7H-purine-8-carboxamide

C24H30N8O2 — CID 138682292

IUPACN-cyclohexyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-7H-purine-8-carboxamide
SMILESCc1cccc(/C=N/Nc2nc(N3CCOCC3)c3[nH]c(C(=O)NC4CCCCC4)nc3n2)c1
InChIInChI=1S/C24H30N8O2/c1-16-6-5-7-17(14-16)15-25-31-24-29-20-19(22(30-24)32-10-12-34-13-11-32)27-21(28-20)23(33)26-18-8-3-2-4-9-18/h5-7,14-15,18H,2-4,8-13H2,1H3,(H,26,33)(H2,27,28,29,30,31)/b25-15+
InChIKeyYANVTEJYFOHNEY-MFKUBSTISA-N
MW462.56 g/mol
LogP3.01
Rot. Bonds6

About N-cyclohexyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-7H-purine-8-carboxamide

N-cyclohexyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-7H-purine-8-carboxamide (PubChem CID 138682292) has the molecular formula C24H30N8O2 and a molecular weight of 462.56 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-7H-purine-8-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-7H-purine-8-carboxamide
PubChem CID138682292
Molecular FormulaC24H30N8O2
Molecular Weight462.56 g/mol
Exact Mass462.25
IUPAC NameN-cyclohexyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-7H-purine-8-carboxamide
SMILESCc1cccc(/C=N/Nc2nc(N3CCOCC3)c3[nH]c(C(=O)NC4CCCCC4)nc3n2)c1
InChIInChI=1S/C24H30N8O2/c1-16-6-5-7-17(14-16)15-25-31-24-29-20-19(22(30-24)32-10-12-34-13-11-32)27-21(28-20)23(33)26-18-8-3-2-4-9-18/h5-7,14-15,18H,2-4,8-13H2,1H3,(H,26,33)(H2,27,28,29,30,31)/b25-15+
InChIKeyYANVTEJYFOHNEY-MFKUBSTISA-N
XLogP3.01
TPSA120.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
CID 138682636
2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-(oxetan-3-yl)-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
CID 138682644
N-cyclobutyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 155343098
N-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
CID 138682526
2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-piperidin-4-yl-5H-cyclopenta[d]pyrimidine-6-carboxamide
CID 172966903
5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-yl-N-pyridin-2-yl-[1,3]oxazolo[4,5-d]pyrimidine-2-carboxamide
CID 138682574
(1-aminocyclopropyl)-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 155732856
N,N-dimethyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-sulfonamide
CID 164784119
2-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-6-yl]-1-pyridin-4-ylethanone
CID 155350583
(5-methyl-1,2-oxazol-4-yl)-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 155350725
tert-butyl 3-[[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]amino]azetidine-1-carboxylate
CID 155343165
(2S)-2-amino-3-methyl-1-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one
CID 155350585

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-7H-purine-8-carboxamide?
The IUPAC name of N-cyclohexyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-7H-purine-8-carboxamide (CID 138682292) is N-cyclohexyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-7H-purine-8-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-7H-purine-8-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-7H-purine-8-carboxamide is Cc1cccc(/C=N/Nc2nc(N3CCOCC3)c3[nH]c(C(=O)NC4CCCCC4)nc3n2)c1.
What is the InChIKey of N-cyclohexyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-7H-purine-8-carboxamide?
The InChIKey is YANVTEJYFOHNEY-MFKUBSTISA-N. The full InChI is InChI=1S/C24H30N8O2/c1-16-6-5-7-17(14-16)15-25-31-24-29-20-19(22(30-24)32-10-12-34-13-11-32)27-21(28-20)23(33)26-18-8-3-2-4-9-18/h5-7,14-15,18H,2-4,8-13H2,1H3,(H,26,33)(H2,27,28,29,30,31)/b25-15+.
What are the key properties of N-cyclohexyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-7H-purine-8-carboxamide?
N-cyclohexyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-7H-purine-8-carboxamide has a molecular weight of 462.56 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-7H-purine-8-carboxamide is sourced from PubChem (CID 138682292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).