2-[[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]methoxy]ethyl-trimethylsilane

C24H27ClN4O2Si — CID 58285270

IUPAC2-[[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc2c(-c3cccc(OCc4ccccc4)c3)nc(Cl)nc21
InChIInChI=1S/C24H27ClN4O2Si/c1-32(2,3)13-12-30-17-29-16-26-22-21(27-24(25)28-23(22)29)19-10-7-11-20(14-19)31-15-18-8-5-4-6-9-18/h4-11,14,16H,12-13,15,17H2,1-3H3
InChIKeyXMMODORMAVTXEC-UHFFFAOYSA-N
MW467.05 g/mol
LogP6.04
Rot. Bonds9

About 2-[[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]methoxy]ethyl-trimethylsilane

2-[[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]methoxy]ethyl-trimethylsilane (PubChem CID 58285270) has the molecular formula C24H27ClN4O2Si and a molecular weight of 467.05 g/mol. Its IUPAC name is 2-[[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]methoxy]ethyl-trimethylsilane
PubChem CID58285270
Molecular FormulaC24H27ClN4O2Si
Molecular Weight467.05 g/mol
Exact Mass466.16
IUPAC Name2-[[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc2c(-c3cccc(OCc4ccccc4)c3)nc(Cl)nc21
InChIInChI=1S/C24H27ClN4O2Si/c1-32(2,3)13-12-30-17-29-16-26-22-21(27-24(25)28-23(22)29)19-10-7-11-20(14-19)31-15-18-8-5-4-6-9-18/h4-11,14,16H,12-13,15,17H2,1-3H3
InChIKeyXMMODORMAVTXEC-UHFFFAOYSA-N
XLogP6.04
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.05
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

2,6-Bis(4-methoxyphenyl)purine
CID 11493677
9-Butyl-8-(2,5-Dimethoxy-Benzyl)-9h-Purin-6-Ylamine
CID 448969
9-Butyl-8-(3-Methoxybenzyl)-9h-Purin-6-Amine
CID 5289228
3,5-Bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine
CID 134179632
9-Butyl-8-(2-iodo-5-methoxy-benzyl)-9H-purin-6-ylamine
CID 11676469
9-ethoxy-6-methyl-6H-indolo[2,3-b]quinoxaline
CID 696933
8-methoxy-N,N,5-trimethyl-5H-pyrimido[5,4-b]indol-4-amine
CID 665544
8-(4-phenylmethoxyphenyl)-7H-purin-6-amine
CID 308538
trans-3-(-4-(Azetidin-1-ylmethyl)cyclohexyl)-1-(3-(benzyloxy)phenyl)imidazo[1,5-a]pyrazin-8-amine
CID 11225122
trans-1-(3-(Benzyloxy)phenyl)-3-(4-(pyrrolidin-1-ylmethyl)cyclohexyl)imidazo[1,5-a]pyrazin-8-amine
CID 11306193
cis-3-(3-Pyrrolidin-1-ylmethylcyclobutyl)-1-(3-benzyloxyphenyl)-imidazo[1,5-a]pyrazin-8-ylamine
CID 11442386
3-(3-Dimethylaminomethyl-cyclobutyl)-1-(3-benzyloxyphenyl)-imidazo[1,5-a]pyrazin-8-ylamine
CID 11604324

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]methoxy]ethyl-trimethylsilane (CID 58285270) is 2-[[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cnc2c(-c3cccc(OCc4ccccc4)c3)nc(Cl)nc21.
What is the InChIKey of 2-[[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is XMMODORMAVTXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2Si/c1-32(2,3)13-12-30-17-29-16-26-22-21(27-24(25)28-23(22)29)19-10-7-11-20(14-19)31-15-18-8-5-4-6-9-18/h4-11,14,16H,12-13,15,17H2,1-3H3.
What are the key properties of 2-[[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]methoxy]ethyl-trimethylsilane?
2-[[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 467.05 g/mol, XLogP of 6.04, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 58285270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).