2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-tri(propan-2-yl)silyloxypropanal

C19H31N5O4Si — CID 59283952

IUPAC2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-tri(propan-2-yl)silyloxypropanal
SMILESCC(C)[Si](OCC(C=O)OC(C=O)n1cnc2c(N)ncnc21)(C(C)C)C(C)C
InChIInChI=1S/C19H31N5O4Si/c1-12(2)29(13(3)4,14(5)6)27-9-15(7-25)28-16(8-26)24-11-23-17-18(20)21-10-22-19(17)24/h7-8,10-16H,9H2,1-6H3,(H2,20,21,22)
InChIKeyOYPXBZVMUFULCA-UHFFFAOYSA-N
MW421.57 g/mol
LogP2.88
Rot. Bonds11

About 2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-tri(propan-2-yl)silyloxypropanal

2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-tri(propan-2-yl)silyloxypropanal (PubChem CID 59283952) has the molecular formula C19H31N5O4Si and a molecular weight of 421.57 g/mol. Its IUPAC name is 2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-tri(propan-2-yl)silyloxypropanal.

Molecular Properties

Compound Name2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-tri(propan-2-yl)silyloxypropanal
PubChem CID59283952
Molecular FormulaC19H31N5O4Si
Molecular Weight421.57 g/mol
Exact Mass421.21
IUPAC Name2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-tri(propan-2-yl)silyloxypropanal
SMILESCC(C)[Si](OCC(C=O)OC(C=O)n1cnc2c(N)ncnc21)(C(C)C)C(C)C
InChIInChI=1S/C19H31N5O4Si/c1-12(2)29(13(3)4,14(5)6)27-9-15(7-25)28-16(8-26)24-11-23-17-18(20)21-10-22-19(17)24/h7-8,10-16H,9H2,1-6H3,(H2,20,21,22)
InChIKeyOYPXBZVMUFULCA-UHFFFAOYSA-N
XLogP2.88
TPSA122.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[[2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropoxy]-hydroxyphosphoryl] hydrogen phosphate
CID 171157408
9-[1-[(3S)-2-methoxypentan-3-yl]oxyethyl]purin-6-amine
CID 173465384
[(6-aminopurin-9-yl)-propan-2-yloxymethyl]phosphonic acid
CID 69163957
9-[1-[(3S)-1,2-dimethoxypentan-3-yl]oxyethyl]purin-6-amine
CID 173465414
9-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]purin-6-amine
CID 58657723
(6-aminopurin-9-yl) formate
CID 57250144
[(2R)-2-[1-(2-amino-6-oxo-1H-purin-9-yl)-2-oxoethoxy]-3-oxopropyl] dihydrogen phosphate
CID 137192397
(2R)-2-amino-2-(6-aminopurin-9-yl)acetic acid
CID 40601282
(2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol
CID 67165594
[1-(6-aminopurin-9-yl)-2-hydroxypropoxy]methyl dihydrogen phosphate
CID 175123312
9-(1-aminopentyl)purin-6-amine
CID 174938588
3-(6-aminopurin-9-yl)-6-methylhept-5-en-2-one
CID 10491516

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-tri(propan-2-yl)silyloxypropanal?
The IUPAC name of 2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-tri(propan-2-yl)silyloxypropanal (CID 59283952) is 2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-tri(propan-2-yl)silyloxypropanal.
What is the SMILES notation for 2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-tri(propan-2-yl)silyloxypropanal?
The canonical SMILES for 2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-tri(propan-2-yl)silyloxypropanal is CC(C)[Si](OCC(C=O)OC(C=O)n1cnc2c(N)ncnc21)(C(C)C)C(C)C.
What is the InChIKey of 2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-tri(propan-2-yl)silyloxypropanal?
The InChIKey is OYPXBZVMUFULCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O4Si/c1-12(2)29(13(3)4,14(5)6)27-9-15(7-25)28-16(8-26)24-11-23-17-18(20)21-10-22-19(17)24/h7-8,10-16H,9H2,1-6H3,(H2,20,21,22).
What are the key properties of 2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-tri(propan-2-yl)silyloxypropanal?
2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-tri(propan-2-yl)silyloxypropanal has a molecular weight of 421.57 g/mol, XLogP of 2.88, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-tri(propan-2-yl)silyloxypropanal is sourced from PubChem (CID 59283952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).