1-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptan-2-one

C26H35N5O4 — CID 160607967

IUPAC1-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptan-2-one
SMILESCC(C)n1cnc2c(-c3cccc(COCCCCCC(=O)CO)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C26H35N5O4/c1-19(2)31-18-27-24-23(28-26(29-25(24)31)30-10-13-34-14-11-30)21-8-6-7-20(15-21)17-35-12-5-3-4-9-22(33)16-32/h6-8,15,18-19,32H,3-5,9-14,16-17H2,1-2H3
InChIKeyRFDAXHFLXOTOLS-UHFFFAOYSA-N
MW481.60 g/mol
LogP3.55
Rot. Bonds12

About 1-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptan-2-one

1-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptan-2-one (PubChem CID 160607967) has the molecular formula C26H35N5O4 and a molecular weight of 481.60 g/mol. Its IUPAC name is 1-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptan-2-one.

Molecular Properties

Compound Name1-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptan-2-one
PubChem CID160607967
Molecular FormulaC26H35N5O4
Molecular Weight481.60 g/mol
Exact Mass481.27
IUPAC Name1-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptan-2-one
SMILESCC(C)n1cnc2c(-c3cccc(COCCCCCC(=O)CO)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C26H35N5O4/c1-19(2)31-18-27-24-23(28-26(29-25(24)31)30-10-13-34-14-11-30)21-8-6-7-20(15-21)17-35-12-5-3-4-9-22(33)16-32/h6-8,15,18-19,32H,3-5,9-14,16-17H2,1-2H3
InChIKeyRFDAXHFLXOTOLS-UHFFFAOYSA-N
XLogP3.55
TPSA102.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptan-2-one with MolForge

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Launch Full Analysis

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
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
N-hydroxy-6-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methylamino]hexanamide
CID 118374649
5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
CID 70224122
3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanamide
CID 90736300
3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol
CID 44608912
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
4-[9-benzyl-6-(1H-inden-4-yl)purin-2-yl]morpholine;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-(4-methylpiperazin-1-yl)ethanone;4-[6-(1H-inden-4-yl)-9-(2-methoxyethyl)purin-2-yl]morpholine;4-[6-(1H-inden-4-yl)-9-(1-phenylethyl)purin-2-yl]morpholine
CID 123135964
3-[9-[2-(diethylamino)ethyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 25256551
4-[9-[(3-ethylphenyl)methyl]-6-(1H-indol-6-yl)purin-2-yl]morpholine
CID 58102423
3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol
CID 25256550

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptan-2-one?
The IUPAC name of 1-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptan-2-one (CID 160607967) is 1-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptan-2-one.
What is the SMILES notation for 1-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptan-2-one?
The canonical SMILES for 1-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptan-2-one is CC(C)n1cnc2c(-c3cccc(COCCCCCC(=O)CO)c3)nc(N3CCOCC3)nc21.
What is the InChIKey of 1-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptan-2-one?
The InChIKey is RFDAXHFLXOTOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O4/c1-19(2)31-18-27-24-23(28-26(29-25(24)31)30-10-13-34-14-11-30)21-8-6-7-20(15-21)17-35-12-5-3-4-9-22(33)16-32/h6-8,15,18-19,32H,3-5,9-14,16-17H2,1-2H3.
What are the key properties of 1-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptan-2-one?
1-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptan-2-one has a molecular weight of 481.60 g/mol, XLogP of 3.55, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptan-2-one is sourced from PubChem (CID 160607967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).