N-hydroxy-6-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methylamino]hexanamide

C25H35N7O3 — CID 118374649

IUPACN-hydroxy-6-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methylamino]hexanamide
SMILESCC(C)n1cnc2c(-c3cccc(CNCCCCCC(=O)NO)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C25H35N7O3/c1-18(2)32-17-27-23-22(28-25(29-24(23)32)31-11-13-35-14-12-31)20-8-6-7-19(15-20)16-26-10-5-3-4-9-21(33)30-34/h6-8,15,17-18,26,34H,3-5,9-14,16H2,1-2H3,(H,30,33)
InChIKeyXHYXECBPBSOUIX-UHFFFAOYSA-N
MW481.60 g/mol
LogP3.07
Rot. Bonds11

About N-hydroxy-6-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methylamino]hexanamide

N-hydroxy-6-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methylamino]hexanamide (PubChem CID 118374649) has the molecular formula C25H35N7O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-hydroxy-6-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methylamino]hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methylamino]hexanamide
PubChem CID118374649
Molecular FormulaC25H35N7O3
Molecular Weight481.60 g/mol
Exact Mass481.28
IUPAC NameN-hydroxy-6-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methylamino]hexanamide
SMILESCC(C)n1cnc2c(-c3cccc(CNCCCCCC(=O)NO)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C25H35N7O3/c1-18(2)32-17-27-23-22(28-25(29-24(23)32)31-11-13-35-14-12-31)20-8-6-7-19(15-20)16-26-10-5-3-4-9-21(33)30-34/h6-8,15,17-18,26,34H,3-5,9-14,16H2,1-2H3,(H,30,33)
InChIKeyXHYXECBPBSOUIX-UHFFFAOYSA-N
XLogP3.07
TPSA117.43 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide
CID 118366949
1-hydroxy-7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]heptane-2,6-dione
CID 157266940
1-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptan-2-one
CID 160607967
N-hydroxy-4-[3-(7-propan-2-yl-2-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-4-yl)phenoxy]butanamide
CID 118366955
5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
CID 70224122
(E)-N-hydroxy-3-[4-[[(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)amino]methyl]phenyl]prop-2-enamide
CID 155542199
N-hydroxy-4-[4-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]butanamide
CID 118366963
5-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-1-hydroxypentan-2-one;N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide;N-methyl-4-[3-(9-propan-2-yl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide;9-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]nonan-3-one
CID 161135107
3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanamide
CID 90736300
4-[6-(1H-inden-4-yl)-9-(3-methylbutan-2-yl)purin-2-yl]morpholine;2-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]butanenitrile;4-[6-(1H-inden-4-yl)-9-propan-2-ylpurin-2-yl]morpholine;3-[9-(3-methylbutan-2-yl)-2-morpholin-4-ylpurin-6-yl]phenol
CID 123545416
3-[9-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 25255155
7-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)anilino]-N-hydroxyheptanamide
CID 142730894

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methylamino]hexanamide?
The IUPAC name of N-hydroxy-6-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methylamino]hexanamide (CID 118374649) is N-hydroxy-6-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methylamino]hexanamide.
What is the SMILES notation for N-hydroxy-6-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methylamino]hexanamide?
The canonical SMILES for N-hydroxy-6-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methylamino]hexanamide is CC(C)n1cnc2c(-c3cccc(CNCCCCCC(=O)NO)c3)nc(N3CCOCC3)nc21.
What is the InChIKey of N-hydroxy-6-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methylamino]hexanamide?
The InChIKey is XHYXECBPBSOUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O3/c1-18(2)32-17-27-23-22(28-25(29-24(23)32)31-11-13-35-14-12-31)20-8-6-7-19(15-20)16-26-10-5-3-4-9-21(33)30-34/h6-8,15,17-18,26,34H,3-5,9-14,16H2,1-2H3,(H,30,33).
What are the key properties of N-hydroxy-6-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methylamino]hexanamide?
N-hydroxy-6-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methylamino]hexanamide has a molecular weight of 481.60 g/mol, XLogP of 3.07, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methylamino]hexanamide is sourced from PubChem (CID 118374649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).