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

C109H120Cl3N16O14P3 — CID 157076337

IUPAC1-[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
SMILESC.C.C.CN(C)P(=O)(Cl)OCC1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC(n2ccc(NC(=O)c3ccccc3)nc2=O)O1.CN(C)P(=O)(Cl)OCC1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)O1.Cc1cn(C2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CC(COP(=O)(Cl)N(C)C)O2)c(=O)[nH]c1=O
InChIInChI=1S/C38H37ClN7O4P.C37H37ClN5O5P.C31H34ClN4O5P.3CH4/c1-44(2)51(39,48)49-25-32-23-45(38(29-17-9-4-10-18-29,30-19-11-5-12-20-30)31-21-13-6-14-22-31)24-33(50-32)46-27-42-34-35(40-26-41-36(34)46)43-37(47)28-15-7-3-8-16-28;1-41(2)49(38,46)47-27-32-25-42(26-34(48-32)43-24-23-33(40-36(43)45)39-35(44)28-15-7-3-8-16-28)37(29-17-9-4-10-18-29,30-19-11-5-12-20-30)31-21-13-6-14-22-31;1-23-19-36(30(38)33-29(23)37)28-21-35(20-27(41-28)22-40-42(32,39)34(2)3)31(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26;;;/h3-22,26-27,32-33H,23-25H2,1-2H3,(H,40,41,43,47);3-24,32,34H,25-27H2,1-2H3,(H,39,40,44,45);4-19,27-28H,20-22H2,1-3H3,(H,33,37,38);3*1H4
InChIKeyACZZZSWVCPDSNO-UHFFFAOYSA-N
MW2077.54 g/mol
LogP20.68
Rot. Bonds31

About 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

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 (PubChem CID 157076337) has the molecular formula C109H120Cl3N16O14P3 and a molecular weight of 2077.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID157076337
Molecular FormulaC109H120Cl3N16O14P3
Molecular Weight2077.54 g/mol
Exact Mass2074.74
IUPAC Name1-[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
SMILESC.C.C.CN(C)P(=O)(Cl)OCC1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC(n2ccc(NC(=O)c3ccccc3)nc2=O)O1.CN(C)P(=O)(Cl)OCC1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)O1.Cc1cn(C2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CC(COP(=O)(Cl)N(C)C)O2)c(=O)[nH]c1=O
InChIInChI=1S/C38H37ClN7O4P.C37H37ClN5O5P.C31H34ClN4O5P.3CH4/c1-44(2)51(39,48)49-25-32-23-45(38(29-17-9-4-10-18-29,30-19-11-5-12-20-30)31-21-13-6-14-22-31)24-33(50-32)46-27-42-34-35(40-26-41-36(34)46)43-37(47)28-15-7-3-8-16-28;1-41(2)49(38,46)47-27-32-25-42(26-34(48-32)43-24-23-33(40-36(43)45)39-35(44)28-15-7-3-8-16-28)37(29-17-9-4-10-18-29,30-19-11-5-12-20-30)31-21-13-6-14-22-31;1-23-19-36(30(38)33-29(23)37)28-21-35(20-27(41-28)22-40-42(32,39)34(2)3)31(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26;;;/h3-22,26-27,32-33H,23-25H2,1-2H3,(H,40,41,43,47);3-24,32,34H,25-27H2,1-2H3,(H,39,40,44,45);4-19,27-28H,20-22H2,1-3H3,(H,33,37,38);3*1H4
InChIKeyACZZZSWVCPDSNO-UHFFFAOYSA-N
XLogP20.68
TPSA317.58 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds31
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002077.54
LogP ≤ 520.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 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 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

[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(6-benzamidopurin-9-yl)-4-tritylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methylphosphonic acid
CID 166099186
[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-benzamidopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methyl benzoate
CID 171544486
[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
[(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-3-(2-methoxyacetyl)oxyoxolan-2-yl]methoxymethoxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxymethoxy]oxolan-2-yl]methyl benzoate
CID 11136951
N-[1-[(6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 135295878
N-[9-[6-(hydroxymethyl)-4-tritylmorpholin-2-yl]purin-6-yl]benzamide
CID 71572366
N-[1-[6-[chloro(dimethylamino)phosphoryl]oxy-4-tritylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 139480590
N-[1-[(2R,4S,5R)-4-[[(2S,3S,5R)-3-[[(2S,3S,5R)-5-(6-benzamidopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]methylsulfanylmethoxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylsulfanylmethoxy]-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 100937071
methyl 2-[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]benzoate
CID 176897703
[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methylphosphonic acid
CID 166099176
1-[(6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]pyrimidine-2,4-dione
CID 140892939
1-[(2R,6S)-6-[[[2-aminoethyl(methyl)amino]-chlorophosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 129029785

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.CN(C)P(=O)(Cl)OCC1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC(n2ccc(NC(=O)c3ccccc3)nc2=O)O1.CN(C)P(=O)(Cl)OCC1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)O1.Cc1cn(C2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CC(COP(=O)(Cl)N(C)C)O2)c(=O)[nH]c1=O.
What is the InChIKey of 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?
The InChIKey is ACZZZSWVCPDSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37ClN7O4P.C37H37ClN5O5P.C31H34ClN4O5P.3CH4/c1-44(2)51(39,48)49-25-32-23-45(38(29-17-9-4-10-18-29,30-19-11-5-12-20-30)31-21-13-6-14-22-31)24-33(50-32)46-27-42-34-35(40-26-41-36(34)46)43-37(47)28-15-7-3-8-16-28;1-41(2)49(38,46)47-27-32-25-42(26-34(48-32)43-24-23-33(40-36(43)45)39-35(44)28-15-7-3-8-16-28)37(29-17-9-4-10-18-29,30-19-11-5-12-20-30)31-21-13-6-14-22-31;1-23-19-36(30(38)33-29(23)37)28-21-35(20-27(41-28)22-40-42(32,39)34(2)3)31(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26;;;/h3-22,26-27,32-33H,23-25H2,1-2H3,(H,40,41,43,47);3-24,32,34H,25-27H2,1-2H3,(H,39,40,44,45);4-19,27-28H,20-22H2,1-3H3,(H,33,37,38);3*1H4.
What are the key properties of 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?
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 has a molecular weight of 2077.54 g/mol, XLogP of 20.68, 31 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157076337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).