2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2-trimethylsilylethyl)-3H-purin-6-ol

C15H27N5O4Si — CID 149159415

IUPAC2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2-trimethylsilylethyl)-3H-purin-6-ol
SMILESC[Si](C)(C)CCC1(O)N=C(N)Nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C15H27N5O4Si/c1-25(2,3)5-4-15(23)12-13(18-14(16)19-15)20(8-17-12)11-6-9(22)10(7-21)24-11/h8-11,21-23H,4-7H2,1-3H3,(H3,16,18,19)/t9-,10+,11+,15?/m0/s1
InChIKeyYOGYANCHEBZPMZ-DZHKABLVSA-N
MW369.50 g/mol
LogP0.14
Rot. Bonds5

About 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2-trimethylsilylethyl)-3H-purin-6-ol

2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2-trimethylsilylethyl)-3H-purin-6-ol (PubChem CID 149159415) has the molecular formula C15H27N5O4Si and a molecular weight of 369.50 g/mol. Its IUPAC name is 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2-trimethylsilylethyl)-3H-purin-6-ol.

Molecular Properties

Compound Name2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2-trimethylsilylethyl)-3H-purin-6-ol
PubChem CID149159415
Molecular FormulaC15H27N5O4Si
Molecular Weight369.50 g/mol
Exact Mass369.18
IUPAC Name2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2-trimethylsilylethyl)-3H-purin-6-ol
SMILESC[Si](C)(C)CCC1(O)N=C(N)Nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C15H27N5O4Si/c1-25(2,3)5-4-15(23)12-13(18-14(16)19-15)20(8-17-12)11-6-9(22)10(7-21)24-11/h8-11,21-23H,4-7H2,1-3H3,(H3,16,18,19)/t9-,10+,11+,15?/m0/s1
InChIKeyYOGYANCHEBZPMZ-DZHKABLVSA-N
XLogP0.14
TPSA138.15 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 50.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2,6-diamino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-ol
CID 140514792
2-amino-6-(butan-2-yldisulfanyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-ol
CID 146424765
5-[5-amino-4-[amino(hydroxy)methyl]imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 123259314
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-1,3,5-triazin-2-one
CID 76973346
(2R,3R,4S,5R)-2-[2-amino-6-hydroxy-6-(thiophen-2-ylmethyl)-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 149159379
6-amino-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
CID 131850230
(2R,3S,5S)-5-(2-aminopurin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 102301563
(2R,3S,5R)-5-(4-amino-7-methylimidazo[4,5-c]pyridin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10934328
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
ethane;5-(4-ethyl-5-methylimidazol-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 176926407
5-(6-amino-2-hydrazinylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154718024

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2-trimethylsilylethyl)-3H-purin-6-ol?
The IUPAC name of 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2-trimethylsilylethyl)-3H-purin-6-ol (CID 149159415) is 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2-trimethylsilylethyl)-3H-purin-6-ol.
What is the SMILES notation for 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2-trimethylsilylethyl)-3H-purin-6-ol?
The canonical SMILES for 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2-trimethylsilylethyl)-3H-purin-6-ol is C[Si](C)(C)CCC1(O)N=C(N)Nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2-trimethylsilylethyl)-3H-purin-6-ol?
The InChIKey is YOGYANCHEBZPMZ-DZHKABLVSA-N. The full InChI is InChI=1S/C15H27N5O4Si/c1-25(2,3)5-4-15(23)12-13(18-14(16)19-15)20(8-17-12)11-6-9(22)10(7-21)24-11/h8-11,21-23H,4-7H2,1-3H3,(H3,16,18,19)/t9-,10+,11+,15?/m0/s1.
What are the key properties of 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2-trimethylsilylethyl)-3H-purin-6-ol?
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2-trimethylsilylethyl)-3H-purin-6-ol has a molecular weight of 369.50 g/mol, XLogP of 0.14, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2-trimethylsilylethyl)-3H-purin-6-ol is sourced from PubChem (CID 149159415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).