9-[3-[1-tri(propan-2-yl)silyloxyethyl]cyclobutyl]purin-6-amine

C20H35N5OSi — CID 66739366

IUPAC9-[3-[1-tri(propan-2-yl)silyloxyethyl]cyclobutyl]purin-6-amine
SMILESCC(O[Si](C(C)C)(C(C)C)C(C)C)C1CC(n2cnc3c(N)ncnc32)C1
InChIInChI=1S/C20H35N5OSi/c1-12(2)27(13(3)4,14(5)6)26-15(7)16-8-17(9-16)25-11-24-18-19(21)22-10-23-20(18)25/h10-17H,8-9H2,1-7H3,(H2,21,22,23)
InChIKeyXBBCEGLBZUWWLO-UHFFFAOYSA-N
MW389.62 g/mol
LogP4.94
Rot. Bonds7

About 9-[3-[1-tri(propan-2-yl)silyloxyethyl]cyclobutyl]purin-6-amine

9-[3-[1-tri(propan-2-yl)silyloxyethyl]cyclobutyl]purin-6-amine (PubChem CID 66739366) has the molecular formula C20H35N5OSi and a molecular weight of 389.62 g/mol. Its IUPAC name is 9-[3-[1-tri(propan-2-yl)silyloxyethyl]cyclobutyl]purin-6-amine.

Molecular Properties

Compound Name9-[3-[1-tri(propan-2-yl)silyloxyethyl]cyclobutyl]purin-6-amine
PubChem CID66739366
Molecular FormulaC20H35N5OSi
Molecular Weight389.62 g/mol
Exact Mass389.26
IUPAC Name9-[3-[1-tri(propan-2-yl)silyloxyethyl]cyclobutyl]purin-6-amine
SMILESCC(O[Si](C(C)C)(C(C)C)C(C)C)C1CC(n2cnc3c(N)ncnc32)C1
InChIInChI=1S/C20H35N5OSi/c1-12(2)27(13(3)4,14(5)6)26-15(7)16-8-17(9-16)25-11-24-18-19(21)22-10-23-20(18)25/h10-17H,8-9H2,1-7H3,(H2,21,22,23)
InChIKeyXBBCEGLBZUWWLO-UHFFFAOYSA-N
XLogP4.94
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.62
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9-[(1S,3R)-3-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentyl]purin-6-amine
CID 10475784
9-[3-[2-(dimethylamino)ethoxy]cyclopentyl]purin-6-amine
CID 22985712
(2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol
CID 67165594
methyl 2-[(1R,3R)-3-(6-aminopurin-9-yl)cyclopentyl]acetate
CID 15659288
[(1S,2S,4R)-4-(6-chloropurin-9-yl)-2-ethylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 159359979
[3-(6-aminopurin-9-yl)cyclopentyl]-oxophosphanium
CID 173294631
4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol
CID 144745895
9-[(3S)-piperidin-3-yl]purin-6-amine
CID 51050700
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[(1S)-1-hydroxyethyl]oxolane-3,4-diol
CID 15612716
(2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol
CID 10611714
9-(4-methyliodanuidylcyclopent-2-en-1-yl)purin-6-amine
CID 149235601
CID 67078091
CID 67078091

Frequently Asked Questions

What is the IUPAC name of 9-[3-[1-tri(propan-2-yl)silyloxyethyl]cyclobutyl]purin-6-amine?
The IUPAC name of 9-[3-[1-tri(propan-2-yl)silyloxyethyl]cyclobutyl]purin-6-amine (CID 66739366) is 9-[3-[1-tri(propan-2-yl)silyloxyethyl]cyclobutyl]purin-6-amine.
What is the SMILES notation for 9-[3-[1-tri(propan-2-yl)silyloxyethyl]cyclobutyl]purin-6-amine?
The canonical SMILES for 9-[3-[1-tri(propan-2-yl)silyloxyethyl]cyclobutyl]purin-6-amine is CC(O[Si](C(C)C)(C(C)C)C(C)C)C1CC(n2cnc3c(N)ncnc32)C1.
What is the InChIKey of 9-[3-[1-tri(propan-2-yl)silyloxyethyl]cyclobutyl]purin-6-amine?
The InChIKey is XBBCEGLBZUWWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5OSi/c1-12(2)27(13(3)4,14(5)6)26-15(7)16-8-17(9-16)25-11-24-18-19(21)22-10-23-20(18)25/h10-17H,8-9H2,1-7H3,(H2,21,22,23).
What are the key properties of 9-[3-[1-tri(propan-2-yl)silyloxyethyl]cyclobutyl]purin-6-amine?
9-[3-[1-tri(propan-2-yl)silyloxyethyl]cyclobutyl]purin-6-amine has a molecular weight of 389.62 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[1-tri(propan-2-yl)silyloxyethyl]cyclobutyl]purin-6-amine is sourced from PubChem (CID 66739366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).