3-(6-hydrazinyl-2-morpholin-4-ylpurin-9-yl)-N,N-dimethylazetidine-1-carboxamide

C15H23N9O2 — CID 170775454

IUPAC3-(6-hydrazinyl-2-morpholin-4-ylpurin-9-yl)-N,N-dimethylazetidine-1-carboxamide
SMILESCN(C)C(=O)N1CC(n2cnc3c(NN)nc(N4CCOCC4)nc32)C1
InChIInChI=1S/C15H23N9O2/c1-21(2)15(25)23-7-10(8-23)24-9-17-11-12(20-16)18-14(19-13(11)24)22-3-5-26-6-4-22/h9-10H,3-8,16H2,1-2H3,(H,18,19,20)
InChIKeyXIDBFROAYGCPCF-UHFFFAOYSA-N
MW361.41 g/mol
LogP-0.51
Rot. Bonds3

About 3-(6-hydrazinyl-2-morpholin-4-ylpurin-9-yl)-N,N-dimethylazetidine-1-carboxamide

3-(6-hydrazinyl-2-morpholin-4-ylpurin-9-yl)-N,N-dimethylazetidine-1-carboxamide (PubChem CID 170775454) has the molecular formula C15H23N9O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 3-(6-hydrazinyl-2-morpholin-4-ylpurin-9-yl)-N,N-dimethylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-(6-hydrazinyl-2-morpholin-4-ylpurin-9-yl)-N,N-dimethylazetidine-1-carboxamide
PubChem CID170775454
Molecular FormulaC15H23N9O2
Molecular Weight361.41 g/mol
Exact Mass361.20
IUPAC Name3-(6-hydrazinyl-2-morpholin-4-ylpurin-9-yl)-N,N-dimethylazetidine-1-carboxamide
SMILESCN(C)C(=O)N1CC(n2cnc3c(NN)nc(N4CCOCC4)nc32)C1
InChIInChI=1S/C15H23N9O2/c1-21(2)15(25)23-7-10(8-23)24-9-17-11-12(20-16)18-14(19-13(11)24)22-3-5-26-6-4-22/h9-10H,3-8,16H2,1-2H3,(H,18,19,20)
InChIKeyXIDBFROAYGCPCF-UHFFFAOYSA-N
XLogP-0.51
TPSA117.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide
CID 175967256
2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-N,N-dimethyl-2-oxoacetamide
CID 58285342
(2S)-2-amino-1-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]propan-1-one
CID 58285310
4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpurin-9-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 51347578
9-cyclohexyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)purin-6-amine
CID 117084130
[(2S)-1-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl] acetate
CID 58285255
[5-[(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)amino]-2-pyridinyl]-piperazin-1-ylmethanone
CID 158970374
tert-butyl 4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxylate
CID 25255762
9-cyclohexyl-N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)purin-6-amine
CID 117085252
[2-morpholin-4-yl-9-[2-(trifluoromethyl)-4-pyridinyl]purin-6-yl]hydrazine
CID 170724597
1-[4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 75628287
(2R)-1-[4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 51347727

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydrazinyl-2-morpholin-4-ylpurin-9-yl)-N,N-dimethylazetidine-1-carboxamide?
The IUPAC name of 3-(6-hydrazinyl-2-morpholin-4-ylpurin-9-yl)-N,N-dimethylazetidine-1-carboxamide (CID 170775454) is 3-(6-hydrazinyl-2-morpholin-4-ylpurin-9-yl)-N,N-dimethylazetidine-1-carboxamide.
What is the SMILES notation for 3-(6-hydrazinyl-2-morpholin-4-ylpurin-9-yl)-N,N-dimethylazetidine-1-carboxamide?
The canonical SMILES for 3-(6-hydrazinyl-2-morpholin-4-ylpurin-9-yl)-N,N-dimethylazetidine-1-carboxamide is CN(C)C(=O)N1CC(n2cnc3c(NN)nc(N4CCOCC4)nc32)C1.
What is the InChIKey of 3-(6-hydrazinyl-2-morpholin-4-ylpurin-9-yl)-N,N-dimethylazetidine-1-carboxamide?
The InChIKey is XIDBFROAYGCPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N9O2/c1-21(2)15(25)23-7-10(8-23)24-9-17-11-12(20-16)18-14(19-13(11)24)22-3-5-26-6-4-22/h9-10H,3-8,16H2,1-2H3,(H,18,19,20).
What are the key properties of 3-(6-hydrazinyl-2-morpholin-4-ylpurin-9-yl)-N,N-dimethylazetidine-1-carboxamide?
3-(6-hydrazinyl-2-morpholin-4-ylpurin-9-yl)-N,N-dimethylazetidine-1-carboxamide has a molecular weight of 361.41 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydrazinyl-2-morpholin-4-ylpurin-9-yl)-N,N-dimethylazetidine-1-carboxamide is sourced from PubChem (CID 170775454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).