CID 67078091

C20H35N5O3Si2 — CID 67078091

IUPAC—
SMILESCC(C)[Si]OC(C)(C)C1OC(n2cnc3c(N)ncnc32)CC1O[Si](C)(C)C(C)C
InChIInChI=1S/C20H35N5O3Si2/c1-12(2)29-28-20(5,6)17-14(27-30(7,8)13(3)4)9-15(26-17)25-11-24-16-18(21)22-10-23-19(16)25/h10-15,17H,9H2,1-8H3,(H2,21,22,23)
InChIKeyCGMFWQLCLBQTCD-UHFFFAOYSA-N
MW449.70 g/mol
LogP3.94
Rot. Bonds8

About CID 67078091

CID 67078091 (PubChem CID 67078091) has the molecular formula C20H35N5O3Si2 and a molecular weight of 449.70 g/mol.

Molecular Properties

Compound NameCID 67078091
PubChem CID67078091
Molecular FormulaC20H35N5O3Si2
Molecular Weight449.70 g/mol
Exact Mass449.23
IUPAC Name—
SMILESCC(C)[Si]OC(C)(C)C1OC(n2cnc3c(N)ncnc32)CC1O[Si](C)(C)C(C)C
InChIInChI=1S/C20H35N5O3Si2/c1-12(2)29-28-20(5,6)17-14(27-30(7,8)13(3)4)9-15(26-17)25-11-24-16-18(21)22-10-23-19(16)25/h10-15,17H,9H2,1-8H3,(H2,21,22,23)
InChIKeyCGMFWQLCLBQTCD-UHFFFAOYSA-N
XLogP3.94
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.70
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

9-[(2R,5R)-5-methyl-4-(2,2,2-tribromoethoxy)oxolan-2-yl]purin-6-amine
CID 67640585
5-(6-aminopurin-9-yl)-3-(2-hydroxypropan-2-yloxy)oxolane-2-carboxylic acid
CID 123507225
tert-butyl 2-[(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate
CID 66830993
[(2R,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-propan-2-ylphosphinic acid
CID 118053732
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 10320127
9-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine
CID 11081526
9-[(2R,5R)-4,5-diethyloxolan-2-yl]purin-6-amine
CID 58159383
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxolan-2-yl]methanol
CID 18650236
2-[(2R,3S)-5-(6-aminopurin-9-yl)-2-[(benzylamino)methyl]oxolan-3-yl]oxypropan-2-ol
CID 173380354
9-[3-[1-tri(propan-2-yl)silyloxyethyl]cyclobutyl]purin-6-amine
CID 66739366
9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine
CID 163886301
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxyphosphonamidous acid
CID 22875104

Frequently Asked Questions

What is the IUPAC name of CID 67078091?
The IUPAC name of CID 67078091 (CID 67078091) is not available.
What is the SMILES notation for CID 67078091?
The canonical SMILES for CID 67078091 is CC(C)[Si]OC(C)(C)C1OC(n2cnc3c(N)ncnc32)CC1O[Si](C)(C)C(C)C.
What is the InChIKey of CID 67078091?
The InChIKey is CGMFWQLCLBQTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O3Si2/c1-12(2)29-28-20(5,6)17-14(27-30(7,8)13(3)4)9-15(26-17)25-11-24-16-18(21)22-10-23-19(16)25/h10-15,17H,9H2,1-8H3,(H2,21,22,23).
What are the key properties of CID 67078091?
CID 67078091 has a molecular weight of 449.70 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67078091 is sourced from PubChem (CID 67078091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).