N-trimethylsilyl-6-trimethylsilyloxy-9-(2-trimethylsilyloxyethoxymethyl)purin-2-amine

C17H35N5O3Si3 — CID 91754053

IUPACN-trimethylsilyl-6-trimethylsilyloxy-9-(2-trimethylsilyloxyethoxymethyl)purin-2-amine
SMILESC[Si](C)(C)Nc1nc(O[Si](C)(C)C)c2ncn(COCCO[Si](C)(C)C)c2n1
InChIInChI=1S/C17H35N5O3Si3/c1-26(2,3)21-17-19-15-14(16(20-17)25-28(7,8)9)18-12-22(15)13-23-10-11-24-27(4,5)6/h12H,10-11,13H2,1-9H3,(H,19,20,21)
InChIKeyCIIRNLKDVGGHFV-UHFFFAOYSA-N
MW441.76 g/mol
LogP4.11
Rot. Bonds10

About N-trimethylsilyl-6-trimethylsilyloxy-9-(2-trimethylsilyloxyethoxymethyl)purin-2-amine

N-trimethylsilyl-6-trimethylsilyloxy-9-(2-trimethylsilyloxyethoxymethyl)purin-2-amine (PubChem CID 91754053) has the molecular formula C17H35N5O3Si3 and a molecular weight of 441.76 g/mol. Its IUPAC name is N-trimethylsilyl-6-trimethylsilyloxy-9-(2-trimethylsilyloxyethoxymethyl)purin-2-amine.

Molecular Properties

Compound NameN-trimethylsilyl-6-trimethylsilyloxy-9-(2-trimethylsilyloxyethoxymethyl)purin-2-amine
PubChem CID91754053
Molecular FormulaC17H35N5O3Si3
Molecular Weight441.76 g/mol
Exact Mass441.20
IUPAC NameN-trimethylsilyl-6-trimethylsilyloxy-9-(2-trimethylsilyloxyethoxymethyl)purin-2-amine
SMILESC[Si](C)(C)Nc1nc(O[Si](C)(C)C)c2ncn(COCCO[Si](C)(C)C)c2n1
InChIInChI=1S/C17H35N5O3Si3/c1-26(2,3)21-17-19-15-14(16(20-17)25-28(7,8)9)18-12-22(15)13-23-10-11-24-27(4,5)6/h12H,10-11,13H2,1-9H3,(H,19,20,21)
InChIKeyCIIRNLKDVGGHFV-UHFFFAOYSA-N
XLogP4.11
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.76
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

9-[(2S,3S,4S,5S)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-N-trimethylsilyl-6-trimethylsilyloxypurin-2-amine
CID 91746614
bis(trimethylsilyl) [2-[2-(trimethylsilylamino)-6-trimethylsilyloxypurin-9-yl]-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-3-yl] phosphate
CID 6428467
2-[(2-iodo-6-methoxypurin-9-yl)methoxy]ethanol
CID 3011674
3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-methyl-5H-imidazo[1,2-a]purin-9-one
CID 11047082
N-[9-[2-[(2-acetamido-6-oxo-1H-purin-9-yl)methoxy]ethoxymethyl]-6-oxo-1H-purin-2-yl]acetamide
CID 169440039
2-[4-[[6-ethoxy-9-(2-trimethylsilylethoxymethyl)purin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 140943254
trimethyl-(9-methyl-2-trimethylsilyloxypurin-6-yl)oxysilane
CID 530134
2-[(2-amino-6-bromopurin-9-yl)methoxy]ethyl-dimethylsulfanium
CID 149091629
2-amino-9-[2-[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethoxymethoxy]ethoxymethyl]-1H-purin-6-one
CID 138393908
9-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-[(2-nitrophenyl)methoxy]purin-2-amine
CID 164884977
N-trimethylsilyl-6-trimethylsilyloxy-7-[(2R,4S,5R)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-2-amine
CID 6431574
2-[(2-amino-6-hydrazinylpurin-9-yl)methoxy]ethanol
CID 67801467

Frequently Asked Questions

What is the IUPAC name of N-trimethylsilyl-6-trimethylsilyloxy-9-(2-trimethylsilyloxyethoxymethyl)purin-2-amine?
The IUPAC name of N-trimethylsilyl-6-trimethylsilyloxy-9-(2-trimethylsilyloxyethoxymethyl)purin-2-amine (CID 91754053) is N-trimethylsilyl-6-trimethylsilyloxy-9-(2-trimethylsilyloxyethoxymethyl)purin-2-amine.
What is the SMILES notation for N-trimethylsilyl-6-trimethylsilyloxy-9-(2-trimethylsilyloxyethoxymethyl)purin-2-amine?
The canonical SMILES for N-trimethylsilyl-6-trimethylsilyloxy-9-(2-trimethylsilyloxyethoxymethyl)purin-2-amine is C[Si](C)(C)Nc1nc(O[Si](C)(C)C)c2ncn(COCCO[Si](C)(C)C)c2n1.
What is the InChIKey of N-trimethylsilyl-6-trimethylsilyloxy-9-(2-trimethylsilyloxyethoxymethyl)purin-2-amine?
The InChIKey is CIIRNLKDVGGHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N5O3Si3/c1-26(2,3)21-17-19-15-14(16(20-17)25-28(7,8)9)18-12-22(15)13-23-10-11-24-27(4,5)6/h12H,10-11,13H2,1-9H3,(H,19,20,21).
What are the key properties of N-trimethylsilyl-6-trimethylsilyloxy-9-(2-trimethylsilyloxyethoxymethyl)purin-2-amine?
N-trimethylsilyl-6-trimethylsilyloxy-9-(2-trimethylsilyloxyethoxymethyl)purin-2-amine has a molecular weight of 441.76 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-trimethylsilyl-6-trimethylsilyloxy-9-(2-trimethylsilyloxyethoxymethyl)purin-2-amine is sourced from PubChem (CID 91754053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).