4-amino-1-[(2R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tritylmorpholin-2-yl]-5-phenylpyrimidin-2-one

C50H50N4O3Si — CID 71606853

IUPAC4-amino-1-[(2R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tritylmorpholin-2-yl]-5-phenylpyrimidin-2-one
SMILESCC(C)(C)[Si](OC[C@@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H](n2cc(-c3ccccc3)c(N)nc2=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C50H50N4O3Si/c1-49(2,3)58(43-30-18-8-19-31-43,44-32-20-9-21-33-44)56-37-42-34-53(36-46(57-42)54-35-45(47(51)52-48(54)55)38-22-10-4-11-23-38)50(39-24-12-5-13-25-39,40-26-14-6-15-27-40)41-28-16-7-17-29-41/h4-33,35,42,46H,34,36-37H2,1-3H3,(H2,51,52,55)/t42-,46+/m0/s1
InChIKeyFWLFLLCMGLRJEC-JKOLSROFSA-N
MW783.06 g/mol
LogP8.26
Rot. Bonds11

About 4-amino-1-[(2R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tritylmorpholin-2-yl]-5-phenylpyrimidin-2-one

4-amino-1-[(2R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tritylmorpholin-2-yl]-5-phenylpyrimidin-2-one (PubChem CID 71606853) has the molecular formula C50H50N4O3Si and a molecular weight of 783.06 g/mol. Its IUPAC name is 4-amino-1-[(2R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tritylmorpholin-2-yl]-5-phenylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tritylmorpholin-2-yl]-5-phenylpyrimidin-2-one
PubChem CID71606853
Molecular FormulaC50H50N4O3Si
Molecular Weight783.06 g/mol
Exact Mass782.37
IUPAC Name4-amino-1-[(2R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tritylmorpholin-2-yl]-5-phenylpyrimidin-2-one
SMILESCC(C)(C)[Si](OC[C@@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H](n2cc(-c3ccccc3)c(N)nc2=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C50H50N4O3Si/c1-49(2,3)58(43-30-18-8-19-31-43,44-32-20-9-21-33-44)56-37-42-34-53(36-46(57-42)54-35-45(47(51)52-48(54)55)38-22-10-4-11-23-38)50(39-24-12-5-13-25-39,40-26-14-6-15-27-40)41-28-16-7-17-29-41/h4-33,35,42,46H,34,36-37H2,1-3H3,(H2,51,52,55)/t42-,46+/m0/s1
InChIKeyFWLFLLCMGLRJEC-JKOLSROFSA-N
XLogP8.26
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.06
LogP ≤ 58.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[6-amino-9-[(2R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tritylmorpholin-2-yl]purin-8-yl]prop-2-yn-1-ol
CID 71604836
N-[9-[(2R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tritylmorpholin-2-yl]-6-[(4-methylphenyl)methoxy]purin-2-yl]-2-methylpropanamide
CID 170719592
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylpyrimidin-2-one
CID 5274196
4-amino-1-[(2R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 150696636
4-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propa-1,2-dienyloxolan-2-yl]-5-fluoropyrimidin-2-one
CID 174058726
1-[(6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]pyrimidine-2,4-dione
CID 140892939
(3S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 71234875
4-amino-1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-(diphenylphosphoryloxymethoxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 11767721
4-amino-1-[(2R,4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxyamino]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]pyrimidin-2-one
CID 10580719
4-amino-1-[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl]pyrimidin-2-one
CID 70284737
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
N-[1-[(2R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
CID 10077037

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tritylmorpholin-2-yl]-5-phenylpyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tritylmorpholin-2-yl]-5-phenylpyrimidin-2-one (CID 71606853) is 4-amino-1-[(2R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tritylmorpholin-2-yl]-5-phenylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tritylmorpholin-2-yl]-5-phenylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tritylmorpholin-2-yl]-5-phenylpyrimidin-2-one is CC(C)(C)[Si](OC[C@@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H](n2cc(-c3ccccc3)c(N)nc2=O)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-amino-1-[(2R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tritylmorpholin-2-yl]-5-phenylpyrimidin-2-one?
The InChIKey is FWLFLLCMGLRJEC-JKOLSROFSA-N. The full InChI is InChI=1S/C50H50N4O3Si/c1-49(2,3)58(43-30-18-8-19-31-43,44-32-20-9-21-33-44)56-37-42-34-53(36-46(57-42)54-35-45(47(51)52-48(54)55)38-22-10-4-11-23-38)50(39-24-12-5-13-25-39,40-26-14-6-15-27-40)41-28-16-7-17-29-41/h4-33,35,42,46H,34,36-37H2,1-3H3,(H2,51,52,55)/t42-,46+/m0/s1.
What are the key properties of 4-amino-1-[(2R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tritylmorpholin-2-yl]-5-phenylpyrimidin-2-one?
4-amino-1-[(2R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tritylmorpholin-2-yl]-5-phenylpyrimidin-2-one has a molecular weight of 783.06 g/mol, XLogP of 8.26, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-tritylmorpholin-2-yl]-5-phenylpyrimidin-2-one is sourced from PubChem (CID 71606853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).