4-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]-2-ethoxyhexane-3,4-diol

C19H35N5O3Si — CID 91425772

IUPAC4-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]-2-ethoxyhexane-3,4-diol
SMILESCCOC(C)C(O)(C(O)(CC)n1cnc2c(N)ncnc21)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H35N5O3Si/c1-9-18(25,24-12-23-14-15(20)21-11-22-16(14)24)19(26,13(3)27-10-2)28(7,8)17(4,5)6/h11-13,25-26H,9-10H2,1-8H3,(H2,20,21,22)
InChIKeyIUVJXCUTAQSPRJ-UHFFFAOYSA-N
MW409.61 g/mol
LogP2.67
Rot. Bonds7

About 4-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]-2-ethoxyhexane-3,4-diol

4-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]-2-ethoxyhexane-3,4-diol (PubChem CID 91425772) has the molecular formula C19H35N5O3Si and a molecular weight of 409.61 g/mol. Its IUPAC name is 4-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]-2-ethoxyhexane-3,4-diol.

Molecular Properties

Compound Name4-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]-2-ethoxyhexane-3,4-diol
PubChem CID91425772
Molecular FormulaC19H35N5O3Si
Molecular Weight409.61 g/mol
Exact Mass409.25
IUPAC Name4-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]-2-ethoxyhexane-3,4-diol
SMILESCCOC(C)C(O)(C(O)(CC)n1cnc2c(N)ncnc21)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H35N5O3Si/c1-9-18(25,24-12-23-14-15(20)21-11-22-16(14)24)19(26,13(3)27-10-2)28(7,8)17(4,5)6/h11-13,25-26H,9-10H2,1-8H3,(H2,20,21,22)
InChIKeyIUVJXCUTAQSPRJ-UHFFFAOYSA-N
XLogP2.67
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.61
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

9-(5-methyldecan-5-yl)purin-6-amine
CID 170323349
9-(1-bromo-2-methoxypropan-2-yl)purin-6-amine
CID 14935376
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(ethoxymethoxy)phosphinic acid
CID 58115296
9-[2-(diethoxyphosphorylmethoxy)butyl]purin-6-amine
CID 89080666
2-(6-aminopurin-9-yl)-2,3-dimethylbut-3-en-1-ol
CID 10889815
9-(2-methyloctan-2-yl)purin-6-amine
CID 139502603
1-(6-aminopurin-9-yl)propan-2-yloxymethylphosphonous acid
CID 144949236
[1-(6-aminopurin-9-yl)propan-2-yloxy-diethoxymethyl]phosphonic acid
CID 175017276
9-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyoctan-3-yl]purin-6-amine
CID 67145030
4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
CID 79360393
[1-(6-aminopurin-9-yl)-1-methoxyethyl]-oxophosphanium
CID 173101965
9-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]purin-6-amine
CID 58657723

Frequently Asked Questions

What is the IUPAC name of 4-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]-2-ethoxyhexane-3,4-diol?
The IUPAC name of 4-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]-2-ethoxyhexane-3,4-diol (CID 91425772) is 4-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]-2-ethoxyhexane-3,4-diol.
What is the SMILES notation for 4-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]-2-ethoxyhexane-3,4-diol?
The canonical SMILES for 4-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]-2-ethoxyhexane-3,4-diol is CCOC(C)C(O)(C(O)(CC)n1cnc2c(N)ncnc21)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]-2-ethoxyhexane-3,4-diol?
The InChIKey is IUVJXCUTAQSPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O3Si/c1-9-18(25,24-12-23-14-15(20)21-11-22-16(14)24)19(26,13(3)27-10-2)28(7,8)17(4,5)6/h11-13,25-26H,9-10H2,1-8H3,(H2,20,21,22).
What are the key properties of 4-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]-2-ethoxyhexane-3,4-diol?
4-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]-2-ethoxyhexane-3,4-diol has a molecular weight of 409.61 g/mol, XLogP of 2.67, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]-2-ethoxyhexane-3,4-diol is sourced from PubChem (CID 91425772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).