2-[(1R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]triazolo[4,5-d]pyrimidin-7-amine

C17H28N6OSi — CID 10689905

IUPAC2-[(1R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CC=C[C@H](n2nc3ncnc(N)c3n2)C1
InChIInChI=1S/C17H28N6OSi/c1-17(2,3)25(4,5)24-10-12-7-6-8-13(9-12)23-21-14-15(18)19-11-20-16(14)22-23/h6,8,11-13H,7,9-10H2,1-5H3,(H2,18,19,20,22)/t12-,13-/m0/s1
InChIKeyUVTXVZLDXCDXCX-STQMWFEESA-N
MW360.54 g/mol
LogP3.33
Rot. Bonds4

About 2-[(1R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]triazolo[4,5-d]pyrimidin-7-amine

2-[(1R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 10689905) has the molecular formula C17H28N6OSi and a molecular weight of 360.54 g/mol. Its IUPAC name is 2-[(1R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-[(1R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]triazolo[4,5-d]pyrimidin-7-amine
PubChem CID10689905
Molecular FormulaC17H28N6OSi
Molecular Weight360.54 g/mol
Exact Mass360.21
IUPAC Name2-[(1R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CC=C[C@H](n2nc3ncnc(N)c3n2)C1
InChIInChI=1S/C17H28N6OSi/c1-17(2,3)25(4,5)24-10-12-7-6-8-13(9-12)23-21-14-15(18)19-11-20-16(14)22-23/h6,8,11-13H,7,9-10H2,1-5H3,(H2,18,19,20,22)/t12-,13-/m0/s1
InChIKeyUVTXVZLDXCDXCX-STQMWFEESA-N
XLogP3.33
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

9-[(1S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]-6-chloropurin-2-amine
CID 10691994
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 14192244
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 10320127
9-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]purin-6-amine
CID 22297996
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxolan-3-ol
CID 11069295
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(7-aminotriazolo[4,5-d]pyrimidin-2-yl)oxolan-2-yl]methyl acetate
CID 11811307
tert-butyl-(cyclohex-3-en-1-ylmethoxy)-dimethylsilane
CID 11229886
(2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(dimethylamino)oxolan-3-ol
CID 146020120
9-[(3aR,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-amine
CID 168832119
(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-6-[[tert-butyl(dimethyl)silyl]oxy(113C)methyl]-3a,4,6,6a-tetrahydro(2,3,4,5-13C4)furano[3,4-d](4,5-13C2)[1,3]dioxole-2-thione
CID 101216859
9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-fluoropurin-6-amine
CID 23656642
9-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]purin-6-amine
CID 58657723

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 2-[(1R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]triazolo[4,5-d]pyrimidin-7-amine (CID 10689905) is 2-[(1R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 2-[(1R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 2-[(1R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]triazolo[4,5-d]pyrimidin-7-amine is CC(C)(C)[Si](C)(C)OC[C@H]1CC=C[C@H](n2nc3ncnc(N)c3n2)C1.
What is the InChIKey of 2-[(1R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is UVTXVZLDXCDXCX-STQMWFEESA-N. The full InChI is InChI=1S/C17H28N6OSi/c1-17(2,3)25(4,5)24-10-12-7-6-8-13(9-12)23-21-14-15(18)19-11-20-16(14)22-23/h6,8,11-13H,7,9-10H2,1-5H3,(H2,18,19,20,22)/t12-,13-/m0/s1.
What are the key properties of 2-[(1R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]triazolo[4,5-d]pyrimidin-7-amine?
2-[(1R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 360.54 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 10689905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).