9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]purin-6-amine

C21H41N5O2Si2 — CID 12994167

IUPAC9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]purin-6-amine
SMILESCC(C)(C)[Si](C)(C)OCC(CCn1cnc2c(N)ncnc21)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H41N5O2Si2/c1-20(2,3)29(7,8)27-13-16(28-30(9,10)21(4,5)6)11-12-26-15-25-17-18(22)23-14-24-19(17)26/h14-16H,11-13H2,1-10H3,(H2,22,23,24)
InChIKeyRNDYEVDGGNCGGN-UHFFFAOYSA-N
MW451.76 g/mol
LogP5.21
Rot. Bonds8

About 9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]purin-6-amine

9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]purin-6-amine (PubChem CID 12994167) has the molecular formula C21H41N5O2Si2 and a molecular weight of 451.76 g/mol. Its IUPAC name is 9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]purin-6-amine.

Molecular Properties

Compound Name9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]purin-6-amine
PubChem CID12994167
Molecular FormulaC21H41N5O2Si2
Molecular Weight451.76 g/mol
Exact Mass451.28
IUPAC Name9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]purin-6-amine
SMILESCC(C)(C)[Si](C)(C)OCC(CCn1cnc2c(N)ncnc21)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H41N5O2Si2/c1-20(2,3)29(7,8)27-13-16(28-30(9,10)21(4,5)6)11-12-26-15-25-17-18(22)23-14-24-19(17)26/h14-16H,11-13H2,1-10H3,(H2,22,23,24)
InChIKeyRNDYEVDGGNCGGN-UHFFFAOYSA-N
XLogP5.21
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.76
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]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
4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
CID 79360393
9-[1-[tert-butyl(dimethyl)silyl]oxy-4-(diethoxyphosphorylmethoxy)butan-2-yl]oxypurin-6-amine
CID 19993546
9-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyoctan-3-yl]purin-6-amine
CID 67145030
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
N'-[4-(6-aminopurin-9-yl)-2-methoxybutyl]-N,N'-dimethylethane-1,2-diamine
CID 144572072
2-acetyloxy-4-(6-aminopurin-9-yl)butanoic acid
CID 163729575
9-nonylpurin-6-amine
CID 3816519
9-[2-(methoxymethylamino)ethyl]purin-6-amine
CID 67932489
9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride
CID 88596334
3-(6-aminopurin-9-yl)-1-hexadecoxypropan-1-ol
CID 70306158
9-[3-(1,1,1-trifluoropropan-2-yloxy)propyl]purin-6-amine
CID 66425509

Frequently Asked Questions

What is the IUPAC name of 9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]purin-6-amine?
The IUPAC name of 9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]purin-6-amine (CID 12994167) is 9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]purin-6-amine.
What is the SMILES notation for 9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]purin-6-amine?
The canonical SMILES for 9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]purin-6-amine is CC(C)(C)[Si](C)(C)OCC(CCn1cnc2c(N)ncnc21)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]purin-6-amine?
The InChIKey is RNDYEVDGGNCGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N5O2Si2/c1-20(2,3)29(7,8)27-13-16(28-30(9,10)21(4,5)6)11-12-26-15-25-17-18(22)23-14-24-19(17)26/h14-16H,11-13H2,1-10H3,(H2,22,23,24).
What are the key properties of 9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]purin-6-amine?
9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]purin-6-amine has a molecular weight of 451.76 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]purin-6-amine is sourced from PubChem (CID 12994167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).