[2-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-2-oxoethyl] 3,4,5-trimethoxybenzoate

C41H41N3O10 — CID 166786364

IUPAC[2-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-2-oxoethyl] 3,4,5-trimethoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)OCC2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CC(n3cc(C)c(=O)[nH]c3=O)O2)cc(OC)c1OC
InChIInChI=1S/C41H41N3O10/c1-27-22-44(40(48)42-38(27)46)35-24-43(41(29-14-8-5-9-15-29,30-16-10-6-11-17-30)31-18-12-7-13-19-31)23-32(54-35)25-52-36(45)26-53-39(47)28-20-33(49-2)37(51-4)34(21-28)50-3/h5-22,32,35H,23-26H2,1-4H3,(H,42,46,48)
InChIKeyCLBDONQBBGPOKQ-UHFFFAOYSA-N
MW735.79 g/mol
LogP4.46
Rot. Bonds13

About [2-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-2-oxoethyl] 3,4,5-trimethoxybenzoate

[2-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-2-oxoethyl] 3,4,5-trimethoxybenzoate (PubChem CID 166786364) has the molecular formula C41H41N3O10 and a molecular weight of 735.79 g/mol. Its IUPAC name is [2-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-2-oxoethyl] 3,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name[2-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-2-oxoethyl] 3,4,5-trimethoxybenzoate
PubChem CID166786364
Molecular FormulaC41H41N3O10
Molecular Weight735.79 g/mol
Exact Mass735.28
IUPAC Name[2-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-2-oxoethyl] 3,4,5-trimethoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)OCC2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CC(n3cc(C)c(=O)[nH]c3=O)O2)cc(OC)c1OC
InChIInChI=1S/C41H41N3O10/c1-27-22-44(40(48)42-38(27)46)35-24-43(41(29-14-8-5-9-15-29,30-16-10-6-11-17-30)31-18-12-7-13-19-31)23-32(54-35)25-52-36(45)26-53-39(47)28-20-33(49-2)37(51-4)34(21-28)50-3/h5-22,32,35H,23-26H2,1-4H3,(H,42,46,48)
InChIKeyCLBDONQBBGPOKQ-UHFFFAOYSA-N
XLogP4.46
TPSA147.62 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.79
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze [2-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-2-oxoethyl] 3,4,5-trimethoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[4-[[6-(6-benzamidopurin-9-yl)-4-tritylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]-2-oxoethyl] 3,4,5-trioctadecoxybenzoate
CID 153328105
1-[(2R,6S)-6-[[[2-aminoethyl(methyl)amino]-chlorophosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 129029785
1-[(2R)-6-[[(4-aminopiperidin-1-yl)-chlorophosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 126677319
1-[(2R)-6-[[chloro-(4-morpholin-4-ylpiperidin-1-yl)phosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 166686307
[(2S,4R,6S)-4-benzoyloxy-6-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-2-yl]methyl benzoate
CID 10412106
4-[[(2S,6R)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]-4-oxobutanoic acid
CID 175801362
1-[6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione;N-[1-[6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[9-[6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]purin-6-yl]benzamide;methane
CID 157076337
[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
CID 10882581
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propanoate
CID 67831429
1-[(6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]pyrimidine-2,4-dione
CID 140892939
3-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]propyl benzoate
CID 10842484
1-[(2R,4S,5R)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 514178

Frequently Asked Questions

What is the IUPAC name of [2-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-2-oxoethyl] 3,4,5-trimethoxybenzoate?
The IUPAC name of [2-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-2-oxoethyl] 3,4,5-trimethoxybenzoate (CID 166786364) is [2-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-2-oxoethyl] 3,4,5-trimethoxybenzoate.
What is the SMILES notation for [2-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-2-oxoethyl] 3,4,5-trimethoxybenzoate?
The canonical SMILES for [2-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-2-oxoethyl] 3,4,5-trimethoxybenzoate is COc1cc(C(=O)OCC(=O)OCC2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CC(n3cc(C)c(=O)[nH]c3=O)O2)cc(OC)c1OC.
What is the InChIKey of [2-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-2-oxoethyl] 3,4,5-trimethoxybenzoate?
The InChIKey is CLBDONQBBGPOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H41N3O10/c1-27-22-44(40(48)42-38(27)46)35-24-43(41(29-14-8-5-9-15-29,30-16-10-6-11-17-30)31-18-12-7-13-19-31)23-32(54-35)25-52-36(45)26-53-39(47)28-20-33(49-2)37(51-4)34(21-28)50-3/h5-22,32,35H,23-26H2,1-4H3,(H,42,46,48).
What are the key properties of [2-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-2-oxoethyl] 3,4,5-trimethoxybenzoate?
[2-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-2-oxoethyl] 3,4,5-trimethoxybenzoate has a molecular weight of 735.79 g/mol, XLogP of 4.46, 13 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-2-oxoethyl] 3,4,5-trimethoxybenzoate is sourced from PubChem (CID 166786364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).