[(2R,5R)-5-(2-aminoquinazolin-5-yl)-3-[tert-butyl(diphenyl)silyl]oxy-2,5-dihydrofuran-2-yl]methanol

C29H31N3O3Si — CID 101234187

IUPAC[(2R,5R)-5-(2-aminoquinazolin-5-yl)-3-[tert-butyl(diphenyl)silyl]oxy-2,5-dihydrofuran-2-yl]methanol
SMILESCC(C)(C)[Si](OC1=C[C@H](c2cccc3nc(N)ncc23)O[C@@H]1CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H31N3O3Si/c1-29(2,3)36(20-11-6-4-7-12-20,21-13-8-5-9-14-21)35-26-17-25(34-27(26)19-33)22-15-10-16-24-23(22)18-31-28(30)32-24/h4-18,25,27,33H,19H2,1-3H3,(H2,30,31,32)/t25-,27-/m1/s1
InChIKeyHCNALUGOSSHWRF-XNMGPUDCSA-N
MW497.67 g/mol
LogP4.10
Rot. Bonds6

About [(2R,5R)-5-(2-aminoquinazolin-5-yl)-3-[tert-butyl(diphenyl)silyl]oxy-2,5-dihydrofuran-2-yl]methanol

[(2R,5R)-5-(2-aminoquinazolin-5-yl)-3-[tert-butyl(diphenyl)silyl]oxy-2,5-dihydrofuran-2-yl]methanol (PubChem CID 101234187) has the molecular formula C29H31N3O3Si and a molecular weight of 497.67 g/mol. Its IUPAC name is [(2R,5R)-5-(2-aminoquinazolin-5-yl)-3-[tert-butyl(diphenyl)silyl]oxy-2,5-dihydrofuran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5R)-5-(2-aminoquinazolin-5-yl)-3-[tert-butyl(diphenyl)silyl]oxy-2,5-dihydrofuran-2-yl]methanol
PubChem CID101234187
Molecular FormulaC29H31N3O3Si
Molecular Weight497.67 g/mol
Exact Mass497.21
IUPAC Name[(2R,5R)-5-(2-aminoquinazolin-5-yl)-3-[tert-butyl(diphenyl)silyl]oxy-2,5-dihydrofuran-2-yl]methanol
SMILESCC(C)(C)[Si](OC1=C[C@H](c2cccc3nc(N)ncc23)O[C@@H]1CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H31N3O3Si/c1-29(2,3)36(20-11-6-4-7-12-20,21-13-8-5-9-14-21)35-26-17-25(34-27(26)19-33)22-15-10-16-24-23(22)18-31-28(30)32-24/h4-18,25,27,33H,19H2,1-3H3,(H2,30,31,32)/t25-,27-/m1/s1
InChIKeyHCNALUGOSSHWRF-XNMGPUDCSA-N
XLogP4.10
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.67
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-(2-aminoquinazolin-5-yl)-3-[tert-butyl(diphenyl)silyl]oxy-2,5-dihydrofuran-2-yl]methanol?
The IUPAC name of [(2R,5R)-5-(2-aminoquinazolin-5-yl)-3-[tert-butyl(diphenyl)silyl]oxy-2,5-dihydrofuran-2-yl]methanol (CID 101234187) is [(2R,5R)-5-(2-aminoquinazolin-5-yl)-3-[tert-butyl(diphenyl)silyl]oxy-2,5-dihydrofuran-2-yl]methanol.
What is the SMILES notation for [(2R,5R)-5-(2-aminoquinazolin-5-yl)-3-[tert-butyl(diphenyl)silyl]oxy-2,5-dihydrofuran-2-yl]methanol?
The canonical SMILES for [(2R,5R)-5-(2-aminoquinazolin-5-yl)-3-[tert-butyl(diphenyl)silyl]oxy-2,5-dihydrofuran-2-yl]methanol is CC(C)(C)[Si](OC1=C[C@H](c2cccc3nc(N)ncc23)O[C@@H]1CO)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,5R)-5-(2-aminoquinazolin-5-yl)-3-[tert-butyl(diphenyl)silyl]oxy-2,5-dihydrofuran-2-yl]methanol?
The InChIKey is HCNALUGOSSHWRF-XNMGPUDCSA-N. The full InChI is InChI=1S/C29H31N3O3Si/c1-29(2,3)36(20-11-6-4-7-12-20,21-13-8-5-9-14-21)35-26-17-25(34-27(26)19-33)22-15-10-16-24-23(22)18-31-28(30)32-24/h4-18,25,27,33H,19H2,1-3H3,(H2,30,31,32)/t25-,27-/m1/s1.
What are the key properties of [(2R,5R)-5-(2-aminoquinazolin-5-yl)-3-[tert-butyl(diphenyl)silyl]oxy-2,5-dihydrofuran-2-yl]methanol?
[(2R,5R)-5-(2-aminoquinazolin-5-yl)-3-[tert-butyl(diphenyl)silyl]oxy-2,5-dihydrofuran-2-yl]methanol has a molecular weight of 497.67 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-(2-aminoquinazolin-5-yl)-3-[tert-butyl(diphenyl)silyl]oxy-2,5-dihydrofuran-2-yl]methanol is sourced from PubChem (CID 101234187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).