N-(6-chloro-9-trimethylsilylpurin-2-yl)-N-trimethylsilylacetamide

C13H22ClN5OSi2 — CID 11132025

IUPACN-(6-chloro-9-trimethylsilylpurin-2-yl)-N-trimethylsilylacetamide
SMILESCC(=O)N(c1nc(Cl)c2ncn([Si](C)(C)C)c2n1)[Si](C)(C)C
InChIInChI=1S/C13H22ClN5OSi2/c1-9(20)19(22(5,6)7)13-16-11(14)10-12(17-13)18(8-15-10)21(2,3)4/h8H,1-7H3
InChIKeyAKKSWSIFEGOBSP-UHFFFAOYSA-N
MW355.98 g/mol
LogP3.35
Rot. Bonds3

About N-(6-chloro-9-trimethylsilylpurin-2-yl)-N-trimethylsilylacetamide

N-(6-chloro-9-trimethylsilylpurin-2-yl)-N-trimethylsilylacetamide (PubChem CID 11132025) has the molecular formula C13H22ClN5OSi2 and a molecular weight of 355.98 g/mol. Its IUPAC name is N-(6-chloro-9-trimethylsilylpurin-2-yl)-N-trimethylsilylacetamide.

Molecular Properties

Compound NameN-(6-chloro-9-trimethylsilylpurin-2-yl)-N-trimethylsilylacetamide
PubChem CID11132025
Molecular FormulaC13H22ClN5OSi2
Molecular Weight355.98 g/mol
Exact Mass355.11
IUPAC NameN-(6-chloro-9-trimethylsilylpurin-2-yl)-N-trimethylsilylacetamide
SMILESCC(=O)N(c1nc(Cl)c2ncn([Si](C)(C)C)c2n1)[Si](C)(C)C
InChIInChI=1S/C13H22ClN5OSi2/c1-9(20)19(22(5,6)7)13-16-11(14)10-12(17-13)18(8-15-10)21(2,3)4/h8H,1-7H3
InChIKeyAKKSWSIFEGOBSP-UHFFFAOYSA-N
XLogP3.35
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.98
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 6-chloro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]purine-9-carboxylate
CID 138756526
tert-butyl N-[9-(4-bromophenyl)-6-chloropurin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 11993827
6-chloro-N-(4-methoxyphenyl)-9-[(4-methoxyphenyl)methyl]-N-methylpurin-2-amine
CID 87838666
[(2S,3S,4S,5S)-3,4-diacetyloxy-5-(2,6-dichloropurin-9-yl)oxolan-2-yl]methyl acetate
CID 87921820
2,6-dichloro-N,N-diethylpurine-9-sulfonamide
CID 155590172
N-[6-(2,6-dichloropurin-9-yl)-2-(trifluoromethoxy)-3-pyridinyl]-N-hydroxyacetamide
CID 137414010
N-[3-(6-chloro-2-methylpurin-9-yl)phenyl]-N-methylacetamide
CID 57381763
[(2R,3R,4R)-4-acetyloxy-5-(6-chloro-2-fluoropurin-9-yl)-2-methyloxolan-3-yl] acetate
CID 134229785
1-(6-chloropurin-9-yl)ethanone
CID 14642058
2-[(2S,3S,4R,5R,6S)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-(2,6-dichloropurin-9-yl)oxan-4-yl]acetic acid
CID 124925217
[(3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] acetate
CID 134235475
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2-amino-6-chloropurin-9-yl)oxolan-2-yl]methyl acetate
CID 10788628

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-9-trimethylsilylpurin-2-yl)-N-trimethylsilylacetamide?
The IUPAC name of N-(6-chloro-9-trimethylsilylpurin-2-yl)-N-trimethylsilylacetamide (CID 11132025) is N-(6-chloro-9-trimethylsilylpurin-2-yl)-N-trimethylsilylacetamide.
What is the SMILES notation for N-(6-chloro-9-trimethylsilylpurin-2-yl)-N-trimethylsilylacetamide?
The canonical SMILES for N-(6-chloro-9-trimethylsilylpurin-2-yl)-N-trimethylsilylacetamide is CC(=O)N(c1nc(Cl)c2ncn([Si](C)(C)C)c2n1)[Si](C)(C)C.
What is the InChIKey of N-(6-chloro-9-trimethylsilylpurin-2-yl)-N-trimethylsilylacetamide?
The InChIKey is AKKSWSIFEGOBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5OSi2/c1-9(20)19(22(5,6)7)13-16-11(14)10-12(17-13)18(8-15-10)21(2,3)4/h8H,1-7H3.
What are the key properties of N-(6-chloro-9-trimethylsilylpurin-2-yl)-N-trimethylsilylacetamide?
N-(6-chloro-9-trimethylsilylpurin-2-yl)-N-trimethylsilylacetamide has a molecular weight of 355.98 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-9-trimethylsilylpurin-2-yl)-N-trimethylsilylacetamide is sourced from PubChem (CID 11132025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).