N-trimethylsilyl-9-[(4R,5S)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-6-amine

C19H37N5O3Si3 — CID 6431571

IUPACN-trimethylsilyl-9-[(4R,5S)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-6-amine
SMILESC[Si](C)(C)Nc1ncnc2c1ncn2C1C[C@@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O1
InChIInChI=1S/C19H37N5O3Si3/c1-28(2,3)23-18-17-19(21-12-20-18)24(13-22-17)16-10-14(27-30(7,8)9)15(26-16)11-25-29(4,5)6/h12-16H,10-11H2,1-9H3,(H,20,21,23)/t14-,15+,16?/m1/s1
InChIKeyPSEZCYIEJIOFHY-YSPPHNQVSA-N
MW467.80 g/mol
LogP4.43
Rot. Bonds8

About N-trimethylsilyl-9-[(4R,5S)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-6-amine

N-trimethylsilyl-9-[(4R,5S)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-6-amine (PubChem CID 6431571) has the molecular formula C19H37N5O3Si3 and a molecular weight of 467.80 g/mol. Its IUPAC name is N-trimethylsilyl-9-[(4R,5S)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-6-amine.

Molecular Properties

Compound NameN-trimethylsilyl-9-[(4R,5S)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-6-amine
PubChem CID6431571
Molecular FormulaC19H37N5O3Si3
Molecular Weight467.80 g/mol
Exact Mass467.22
IUPAC NameN-trimethylsilyl-9-[(4R,5S)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-6-amine
SMILESC[Si](C)(C)Nc1ncnc2c1ncn2C1C[C@@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O1
InChIInChI=1S/C19H37N5O3Si3/c1-28(2,3)23-18-17-19(21-12-20-18)24(13-22-17)16-10-14(27-30(7,8)9)15(26-16)11-25-29(4,5)6/h12-16H,10-11H2,1-9H3,(H,20,21,23)/t14-,15+,16?/m1/s1
InChIKeyPSEZCYIEJIOFHY-YSPPHNQVSA-N
XLogP4.43
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.80
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-trimethylsilyl-9-[(4R,5S)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-6-amine 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

9-[(3R,4S,5S)-4-bis(trimethylsilyloxy)phosphoryl-3-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]-N-trimethylsilylpurin-6-amine
CID 91750512
2-[[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]amino]ethanol
CID 59408165
9-[5-(ethylsulfanylmethyl)-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-N-trimethylsilylpurin-6-amine
CID 552499
tert-butyl N-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]carbamate
CID 90737330
9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-[1-(4-iodophenyl)ethyl]purin-6-amine
CID 59736556
9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-[(4-iodophenyl)methyl]purin-6-amine
CID 59736557
N-trimethylsilyl-6-trimethylsilyloxy-7-[(2R,4S,5R)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-2-amine
CID 6431574
tert-butyl-[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(6-ethenylpurin-9-yl)oxolan-2-yl]methoxy]-dimethylsilane
CID 171812020
5-[6-(ethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 23149721
[(1S,2S)-2-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]cyclopropyl]methanol
CID 24895803
[(2R,5S,6R,7R)-2-(6-acetamidopurin-9-yl)-5,6-diacetyloxy-7-(hydroxymethyl)oxepan-4-yl] acetate
CID 71207127
N-[9-[(2R,4S,5R)-5-(aminomethyl)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]purin-6-yl]benzamide
CID 10434796

Frequently Asked Questions

What is the IUPAC name of N-trimethylsilyl-9-[(4R,5S)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-6-amine?
The IUPAC name of N-trimethylsilyl-9-[(4R,5S)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-6-amine (CID 6431571) is N-trimethylsilyl-9-[(4R,5S)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-6-amine.
What is the SMILES notation for N-trimethylsilyl-9-[(4R,5S)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-6-amine?
The canonical SMILES for N-trimethylsilyl-9-[(4R,5S)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-6-amine is C[Si](C)(C)Nc1ncnc2c1ncn2C1C[C@@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O1.
What is the InChIKey of N-trimethylsilyl-9-[(4R,5S)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-6-amine?
The InChIKey is PSEZCYIEJIOFHY-YSPPHNQVSA-N. The full InChI is InChI=1S/C19H37N5O3Si3/c1-28(2,3)23-18-17-19(21-12-20-18)24(13-22-17)16-10-14(27-30(7,8)9)15(26-16)11-25-29(4,5)6/h12-16H,10-11H2,1-9H3,(H,20,21,23)/t14-,15+,16?/m1/s1.
What are the key properties of N-trimethylsilyl-9-[(4R,5S)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-6-amine?
N-trimethylsilyl-9-[(4R,5S)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-6-amine has a molecular weight of 467.80 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-trimethylsilyl-9-[(4R,5S)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]purin-6-amine is sourced from PubChem (CID 6431571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).