9-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyoctan-3-yl]purin-6-amine

C19H35N5OSi — CID 67145030

IUPAC9-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyoctan-3-yl]purin-6-amine
SMILESCCCCC[C@H]([C@H](C)O[Si](C)(C)C(C)(C)C)n1cnc2c(N)ncnc21
InChIInChI=1S/C19H35N5OSi/c1-8-9-10-11-15(14(2)25-26(6,7)19(3,4)5)24-13-23-16-17(20)21-12-22-18(16)24/h12-15H,8-11H2,1-7H3,(H2,20,21,22)/t14-,15+/m0/s1
InChIKeyFMVVNXCCGQZOKT-LSDHHAIUSA-N
MW377.61 g/mol
LogP4.94
Rot. Bonds8

About 9-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyoctan-3-yl]purin-6-amine

9-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyoctan-3-yl]purin-6-amine (PubChem CID 67145030) has the molecular formula C19H35N5OSi and a molecular weight of 377.61 g/mol. Its IUPAC name is 9-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyoctan-3-yl]purin-6-amine.

Molecular Properties

Compound Name9-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyoctan-3-yl]purin-6-amine
PubChem CID67145030
Molecular FormulaC19H35N5OSi
Molecular Weight377.61 g/mol
Exact Mass377.26
IUPAC Name9-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyoctan-3-yl]purin-6-amine
SMILESCCCCC[C@H]([C@H](C)O[Si](C)(C)C(C)(C)C)n1cnc2c(N)ncnc21
InChIInChI=1S/C19H35N5OSi/c1-8-9-10-11-15(14(2)25-26(6,7)19(3,4)5)24-13-23-16-17(20)21-12-22-18(16)24/h12-15H,8-11H2,1-7H3,(H2,20,21,22)/t14-,15+/m0/s1
InChIKeyFMVVNXCCGQZOKT-LSDHHAIUSA-N
XLogP4.94
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.61
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyoctan-3-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-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]purin-6-amine
CID 58657723
9-(1-aminopentyl)purin-6-amine
CID 174938588
(2S,3S)-3-(6-aminopurin-9-yl)hexan-2-ol
CID 67145035
9-[(2S,3R)-2-phenylmethoxynon-8-en-3-yl]purin-6-amine
CID 10338866
[3-(6-aminopurin-9-yl)-4-[tert-butyl(diphenyl)silyl]oxypentyl] 2,2-dimethylpropanoate
CID 69305722
9-(5-methyldecan-5-yl)purin-6-amine
CID 170323349
9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]purin-6-amine
CID 12994167
9-(2-methyl-1-phenylnon-8-en-3-yl)purin-6-amine
CID 56977472
9-(2-methyloctan-2-yl)purin-6-amine
CID 139502603
9-[1-[(3S)-2-methoxypentan-3-yl]oxyethyl]purin-6-amine
CID 173465384
9-nonylpurin-6-amine
CID 3816519
1-(6-aminopurin-9-yl)hexane-1,6-diol
CID 67892821

Frequently Asked Questions

What is the IUPAC name of 9-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyoctan-3-yl]purin-6-amine?
The IUPAC name of 9-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyoctan-3-yl]purin-6-amine (CID 67145030) is 9-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyoctan-3-yl]purin-6-amine.
What is the SMILES notation for 9-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyoctan-3-yl]purin-6-amine?
The canonical SMILES for 9-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyoctan-3-yl]purin-6-amine is CCCCC[C@H]([C@H](C)O[Si](C)(C)C(C)(C)C)n1cnc2c(N)ncnc21.
What is the InChIKey of 9-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyoctan-3-yl]purin-6-amine?
The InChIKey is FMVVNXCCGQZOKT-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H35N5OSi/c1-8-9-10-11-15(14(2)25-26(6,7)19(3,4)5)24-13-23-16-17(20)21-12-22-18(16)24/h12-15H,8-11H2,1-7H3,(H2,20,21,22)/t14-,15+/m0/s1.
What are the key properties of 9-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyoctan-3-yl]purin-6-amine?
9-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyoctan-3-yl]purin-6-amine has a molecular weight of 377.61 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyoctan-3-yl]purin-6-amine is sourced from PubChem (CID 67145030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).