N-[1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methyl-2-oxopyrimidin-4-yl]acetamide;1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione;N-[9-[6-(aminomethyl)-4-tritylmorpholin-2-yl]purin-6-yl]benzamide

C96H96N16O8 — CID 157289473

IUPACN-[1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methyl-2-oxopyrimidin-4-yl]acetamide;1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione;N-[9-[6-(aminomethyl)-4-tritylmorpholin-2-yl]purin-6-yl]benzamide
SMILESCC(=O)Nc1nc(=O)n(C2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CC(CN)O2)cc1C.Cc1cn(C2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CC(CN)O2)c(=O)[nH]c1=O.NCC1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)O1
InChIInChI=1S/C36H33N7O2.C31H33N5O3.C29H30N4O3/c37-21-30-22-42(36(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29)23-31(45-30)43-25-40-32-33(38-24-39-34(32)43)41-35(44)26-13-5-1-6-14-26;1-22-19-36(30(38)34-29(22)33-23(2)37)28-21-35(20-27(18-32)39-28)31(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26;1-21-18-33(28(35)31-27(21)34)26-20-32(19-25(17-30)36-26)29(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h1-20,24-25,30-31H,21-23,37H2,(H,38,39,41,44);3-17,19,27-28H,18,20-21,32H2,1-2H3,(H,33,34,37,38);2-16,18,25-26H,17,19-20,30H2,1H3,(H,31,34,35)
InChIKeyBAQBYNUHKPZPQX-UHFFFAOYSA-N
MW1601.93 g/mol
LogP11.88
Rot. Bonds21

About N-[1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methyl-2-oxopyrimidin-4-yl]acetamide;1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione;N-[9-[6-(aminomethyl)-4-tritylmorpholin-2-yl]purin-6-yl]benzamide

N-[1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methyl-2-oxopyrimidin-4-yl]acetamide;1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione;N-[9-[6-(aminomethyl)-4-tritylmorpholin-2-yl]purin-6-yl]benzamide (PubChem CID 157289473) has the molecular formula C96H96N16O8 and a molecular weight of 1601.93 g/mol. Its IUPAC name is N-[1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methyl-2-oxopyrimidin-4-yl]acetamide;1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione;N-[9-[6-(aminomethyl)-4-tritylmorpholin-2-yl]purin-6-yl]benzamide.

Molecular Properties

Compound NameN-[1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methyl-2-oxopyrimidin-4-yl]acetamide;1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione;N-[9-[6-(aminomethyl)-4-tritylmorpholin-2-yl]purin-6-yl]benzamide
PubChem CID157289473
Molecular FormulaC96H96N16O8
Molecular Weight1601.93 g/mol
Exact Mass1600.76
IUPAC NameN-[1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methyl-2-oxopyrimidin-4-yl]acetamide;1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione;N-[9-[6-(aminomethyl)-4-tritylmorpholin-2-yl]purin-6-yl]benzamide
SMILESCC(=O)Nc1nc(=O)n(C2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CC(CN)O2)cc1C.Cc1cn(C2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CC(CN)O2)c(=O)[nH]c1=O.NCC1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)O1
InChIInChI=1S/C36H33N7O2.C31H33N5O3.C29H30N4O3/c37-21-30-22-42(36(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29)23-31(45-30)43-25-40-32-33(38-24-39-34(32)43)41-35(44)26-13-5-1-6-14-26;1-22-19-36(30(38)34-29(22)33-23(2)37)28-21-35(20-27(18-32)39-28)31(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26;1-21-18-33(28(35)31-27(21)34)26-20-32(19-25(17-30)36-26)29(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h1-20,24-25,30-31H,21-23,37H2,(H,38,39,41,44);3-17,19,27-28H,18,20-21,32H2,1-2H3,(H,33,34,37,38);2-16,18,25-26H,17,19-20,30H2,1H3,(H,31,34,35)
InChIKeyBAQBYNUHKPZPQX-UHFFFAOYSA-N
XLogP11.88
TPSA307.02 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001601.93
LogP ≤ 511.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze N-[1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methyl-2-oxopyrimidin-4-yl]acetamide;1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione;N-[9-[6-(aminomethyl)-4-tritylmorpholin-2-yl]purin-6-yl]benzamide with MolForge

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Related Compounds

{4-[2-(3-Morpholin-4-yl-propylamino)-9-phenyl-9H-purin-6-ylamino]-phenyl}-piperidin-1-yl-methanone
CID 24762175
N6-Benzoyl-N9-(6-hydroxymethyl-4-triphenylmethylmorpholin-2-yl) Adenine
CID 16662127
(6-(6-benzamido-9H-purin-9-yl)-4-tritylmorpholin-2-yl)methyl dimethylphosphoramidochloridate
CID 16662131
2-[6-[(3-Phenylbenzoyl)amino]purin-9-yl]ethyl acetate
CID 122531262
[4-[9-[3-(4-Ethylpiperazin-1-yl)propyl]-2-[(4-fluorophenyl)methylamino]purin-6-yl]piperazin-1-yl]-phenylmethanone
CID 151496936
N-{(1S)-2-[(cis)-2,6-dimethylmorpholin-4-yl]-2-oxo-1-phenylethyl}-9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-amine
CID 124172536
N-{(1R)-3-[(cis)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-phenylpropyl}-9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-amine
CID 124172546
Phosphoramidochloridic acid, N,N-dimethyl-[6-[6-(benzoylamino)-9H-purin-9-yl]-4-(triphenylmethyl)-2-morpholinyl]methyl ester
CID 73301518
(4-Methylpiperazin-1-yl)-[4-[6-(4-morpholin-4-ylanilino)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-2-yl]phenyl]methanone
CID 117079368
(4-Methylpiperazin-1-yl)-[4-[6-(2-morpholin-4-ylethylamino)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-2-yl]phenyl]methanone
CID 117080577
4-[[9-(3-fluorophenyl)-2-(2-methylmorpholin-4-yl)purin-6-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 25025151
N-[9-[(2R,6S)-6-[[chloro-[4-[(2,2,2-trifluoroacetyl)amino]piperidin-1-yl]phosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]purin-6-yl]benzamide
CID 87107125

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methyl-2-oxopyrimidin-4-yl]acetamide;1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione;N-[9-[6-(aminomethyl)-4-tritylmorpholin-2-yl]purin-6-yl]benzamide?
The IUPAC name of N-[1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methyl-2-oxopyrimidin-4-yl]acetamide;1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione;N-[9-[6-(aminomethyl)-4-tritylmorpholin-2-yl]purin-6-yl]benzamide (CID 157289473) is N-[1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methyl-2-oxopyrimidin-4-yl]acetamide;1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione;N-[9-[6-(aminomethyl)-4-tritylmorpholin-2-yl]purin-6-yl]benzamide.
What is the SMILES notation for N-[1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methyl-2-oxopyrimidin-4-yl]acetamide;1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione;N-[9-[6-(aminomethyl)-4-tritylmorpholin-2-yl]purin-6-yl]benzamide?
The canonical SMILES for N-[1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methyl-2-oxopyrimidin-4-yl]acetamide;1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione;N-[9-[6-(aminomethyl)-4-tritylmorpholin-2-yl]purin-6-yl]benzamide is CC(=O)Nc1nc(=O)n(C2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CC(CN)O2)cc1C.Cc1cn(C2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CC(CN)O2)c(=O)[nH]c1=O.NCC1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)O1.
What is the InChIKey of N-[1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methyl-2-oxopyrimidin-4-yl]acetamide;1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione;N-[9-[6-(aminomethyl)-4-tritylmorpholin-2-yl]purin-6-yl]benzamide?
The InChIKey is BAQBYNUHKPZPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33N7O2.C31H33N5O3.C29H30N4O3/c37-21-30-22-42(36(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29)23-31(45-30)43-25-40-32-33(38-24-39-34(32)43)41-35(44)26-13-5-1-6-14-26;1-22-19-36(30(38)34-29(22)33-23(2)37)28-21-35(20-27(18-32)39-28)31(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26;1-21-18-33(28(35)31-27(21)34)26-20-32(19-25(17-30)36-26)29(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h1-20,24-25,30-31H,21-23,37H2,(H,38,39,41,44);3-17,19,27-28H,18,20-21,32H2,1-2H3,(H,33,34,37,38);2-16,18,25-26H,17,19-20,30H2,1H3,(H,31,34,35).
What are the key properties of N-[1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methyl-2-oxopyrimidin-4-yl]acetamide;1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione;N-[9-[6-(aminomethyl)-4-tritylmorpholin-2-yl]purin-6-yl]benzamide?
N-[1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methyl-2-oxopyrimidin-4-yl]acetamide;1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione;N-[9-[6-(aminomethyl)-4-tritylmorpholin-2-yl]purin-6-yl]benzamide has a molecular weight of 1601.93 g/mol, XLogP of 11.88, 21 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methyl-2-oxopyrimidin-4-yl]acetamide;1-[6-(aminomethyl)-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione;N-[9-[6-(aminomethyl)-4-tritylmorpholin-2-yl]purin-6-yl]benzamide is sourced from PubChem (CID 157289473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).