2-amino-9-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-1H-purin-6-one

C16H27N5O2Si — CID 135610882

IUPAC2-amino-9-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-1H-purin-6-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC[C@@H]1n1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C16H27N5O2Si/c1-16(2,3)24(4,5)23-11-8-6-7-10(11)21-9-18-12-13(21)19-15(17)20-14(12)22/h9-11H,6-8H2,1-5H3,(H3,17,19,20,22)/t10-,11-/m0/s1
InChIKeyXLPROTZNONGLIU-QWRGUYRKSA-N
MW349.51 g/mol
LogP2.82
Rot. Bonds3

About 2-amino-9-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-1H-purin-6-one

2-amino-9-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-1H-purin-6-one (PubChem CID 135610882) has the molecular formula C16H27N5O2Si and a molecular weight of 349.51 g/mol. Its IUPAC name is 2-amino-9-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-1H-purin-6-one
PubChem CID135610882
Molecular FormulaC16H27N5O2Si
Molecular Weight349.51 g/mol
Exact Mass349.19
IUPAC Name2-amino-9-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-1H-purin-6-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC[C@@H]1n1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C16H27N5O2Si/c1-16(2,3)24(4,5)23-11-8-6-7-10(11)21-9-18-12-13(21)19-15(17)20-14(12)22/h9-11H,6-8H2,1-5H3,(H3,17,19,20,22)/t10-,11-/m0/s1
InChIKeyXLPROTZNONGLIU-QWRGUYRKSA-N
XLogP2.82
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.51
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-9-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-1H-purin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-9-[(1R,2R)-2-hydroxycycloheptyl]-1H-purin-6-one
CID 135439454
2-amino-9-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
CID 136880790
9-[(4aS,6R,7R,7aR)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-2-amino-1H-purin-6-one
CID 137203032
2-amino-9-cyclopentyl-1H-purin-6-one
CID 135408673
[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]methyl 4-methylbenzenesulfonate
CID 135897802
9-[(2R,4aR,7R,8R,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2-amino-1H-purin-6-one
CID 135531302
2-amino-9-[(2R,3R,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydrazinyloxolan-2-yl]-1H-purin-6-one
CID 137059272
2-amino-9-cyclohex-2-en-1-yl-1H-purin-6-one
CID 136682612
2-amino-9-[(1R,6R,8R,9R,14R,16R,17S,18S)-16-(2-amino-6-oxo-1H-purin-9-yl)-17,18-bis[[tert-butyl(dimethyl)silyl]oxy]-3,11-dioxido-3,11-bis(sulfanylidene)-2,4,10,12-tetraoxa-7,15-dithia-3λ5,11λ5-diphosphatricyclo[12.2.1.16,9]octadecan-8-yl]-1H-purin-6-one
CID 140895697
2-amino-9-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5-[(2-sulfanylidene-1,3,2λ5-dithiaphospholan-2-yl)oxymethyl]oxolan-2-yl]-1H-purin-6-one
CID 152712704
2-amino-9-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one
CID 136914028
2-amino-9-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136716474

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-1H-purin-6-one?
The IUPAC name of 2-amino-9-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-1H-purin-6-one (CID 135610882) is 2-amino-9-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-1H-purin-6-one?
The canonical SMILES for 2-amino-9-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-1H-purin-6-one is CC(C)(C)[Si](C)(C)O[C@H]1CCC[C@@H]1n1cnc2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-9-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-1H-purin-6-one?
The InChIKey is XLPROTZNONGLIU-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H27N5O2Si/c1-16(2,3)24(4,5)23-11-8-6-7-10(11)21-9-18-12-13(21)19-15(17)20-14(12)22/h9-11H,6-8H2,1-5H3,(H3,17,19,20,22)/t10-,11-/m0/s1.
What are the key properties of 2-amino-9-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-1H-purin-6-one?
2-amino-9-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-1H-purin-6-one has a molecular weight of 349.51 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-1H-purin-6-one is sourced from PubChem (CID 135610882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).