N-[1-[(2R,6R)-4-[[(6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-[6-(2-methylpropylamino)-4-oxo-5H-benzimidazol-1-yl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-ethylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide

C89H126N25O28P5 — CID 165085933

About N-[1-[(2R,6R)-4-[[(6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-[6-(2-methylpropylamino)-4-oxo-5H-benzimidazol-1-yl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-ethylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide

N-[1-[(2R,6R)-4-[[(6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-[6-(2-methylpropylamino)-4-oxo-5H-benzimidazol-1-yl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-ethylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide (PubChem CID 165085933) has the molecular formula C89H126N25O28P5 and a molecular weight of 2149.00 g/mol. Its IUPAC name is N-[1-[(2R,6R)-4-[[(6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-[6-(2-methylpropylamino)-4-oxo-5H-benzimidazol-1-yl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-ethylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide.

Molecular Properties

• Compound Name: N-[1-[(2R,6R)-4-[[(6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-[6-(2-methylpropylamino)-4-oxo-5H-benzimidazol-1-yl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-ethylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide
• PubChem CID: 165085933
• Molecular Formula: C89H126N25O28P5
• Molecular Weight: 2149.00 g/mol
• Exact Mass: 2147.79
• IUPAC Name: N-[1-[(2R,6R)-4-[[(6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-[6-(2-methylpropylamino)-4-oxo-5H-benzimidazol-1-yl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-ethylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide
• SMILES: CC[C@@H]1CN([P@@](=O)(OCC2CN([P@@](=O)(OCC3CN([P@@](=O)(OCC4CN([P@@](=O)(OCC5CN(P(=O)(OCC6O[C@@H](n7cc(C)c(=O)[nH]c7=O)C[C@@H]6O)N(C)C)C[C@H](n6cc(C)c(=O)[nH]c6=O)O5)N(C)C)C[C@H](n5cc(C)c(=O)[nH]c5=O)O4)N(C)C)C[C@H](n4cnc5c4C=C(NCC(C)C)CC5=O)O3)N(C)C)C[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)O2)N(C)C)C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O1
• InChI: InChI=1S/C89H126N25O28P5/c1-17-62-39-104(44-74(137-62)109-30-28-71(94-85(109)122)92-83(120)59-24-20-18-21-25-59)143(127,99(7)8)132-49-63-40-105(45-75(138-63)110-31-29-72(95-86(110)123)93-84(121)60-26-22-19-23-27-60)144(128,100(9)10)135-52-66-43-108(48-78(141-66)114-54-91-79-67(114)32-61(33-69(79)116)90-35-55(2)3)146(130,102(13)14)134-50-64-41-106(46-76(139-64)112-37-57(5)81(118)97-88(112)125)145(129,101(11)12)133-51-65-42-107(47-77(140-65)113-38-58(6)82(119)98-89(113)126)147(131,103(15)16)136-53-70-68(115)34-73(142-70)111-36-56(4)80(117)96-87(111)124/h18-32,36-38,54-55,62-66,68,70,73-78,90,115H,17,33-35,39-53H2,1-16H3,(H,96,117,124)(H,97,118,125)(H,98,119,126)(H,92,94,120,122)(H,93,95,121,123)/t62-,63?,64?,65?,66?,68+,70?,73-,74-,75-,76-,77-,78-,143+,144+,145+,146+,147?/m1/s1
• InChIKey: SFWGAFTVWIXBAI-RBSHHOCGSA-N
• XLogP: 4.14
• TPSA: 578.99 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Rotatable Bonds: 39
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2149.00
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,6R)-4-[[(6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-[6-(2-methylpropylamino)-4-oxo-5H-benzimidazol-1-yl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-ethylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide?

The IUPAC name of N-[1-[(2R,6R)-4-[[(6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-[6-(2-methylpropylamino)-4-oxo-5H-benzimidazol-1-yl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-ethylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide (CID 165085933) is N-[1-[(2R,6R)-4-[[(6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-[6-(2-methylpropylamino)-4-oxo-5H-benzimidazol-1-yl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-ethylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide.

What is the SMILES notation for N-[1-[(2R,6R)-4-[[(6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-[6-(2-methylpropylamino)-4-oxo-5H-benzimidazol-1-yl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-ethylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide?

The canonical SMILES for N-[1-[(2R,6R)-4-[[(6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-[6-(2-methylpropylamino)-4-oxo-5H-benzimidazol-1-yl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-ethylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide is CC[C@@H]1CN([P@@](=O)(OCC2CN([P@@](=O)(OCC3CN([P@@](=O)(OCC4CN([P@@](=O)(OCC5CN(P(=O)(OCC6O[C@@H](n7cc(C)c(=O)[nH]c7=O)C[C@@H]6O)N(C)C)C[C@H](n6cc(C)c(=O)[nH]c6=O)O5)N(C)C)C[C@H](n5cc(C)c(=O)[nH]c5=O)O4)N(C)C)C[C@H](n4cnc5c4C=C(NCC(C)C)CC5=O)O3)N(C)C)C[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)O2)N(C)C)C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O1.

What is the InChIKey of N-[1-[(2R,6R)-4-[[(6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-[6-(2-methylpropylamino)-4-oxo-5H-benzimidazol-1-yl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-ethylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide?

The InChIKey is SFWGAFTVWIXBAI-RBSHHOCGSA-N. The full InChI is InChI=1S/C89H126N25O28P5/c1-17-62-39-104(44-74(137-62)109-30-28-71(94-85(109)122)92-83(120)59-24-20-18-21-25-59)143(127,99(7)8)132-49-63-40-105(45-75(138-63)110-31-29-72(95-86(110)123)93-84(121)60-26-22-19-23-27-60)144(128,100(9)10)135-52-66-43-108(48-78(141-66)114-54-91-79-67(114)32-61(33-69(79)116)90-35-55(2)3)146(130,102(13)14)134-50-64-41-106(46-76(139-64)112-37-57(5)81(118)97-88(112)125)145(129,101(11)12)133-51-65-42-107(47-77(140-65)113-38-58(6)82(119)98-89(113)126)147(131,103(15)16)136-53-70-68(115)34-73(142-70)111-36-56(4)80(117)96-87(111)124/h18-32,36-38,54-55,62-66,68,70,73-78,90,115H,17,33-35,39-53H2,1-16H3,(H,96,117,124)(H,97,118,125)(H,98,119,126)(H,92,94,120,122)(H,93,95,121,123)/t62-,63?,64?,65?,66?,68+,70?,73-,74-,75-,76-,77-,78-,143+,144+,145+,146+,147?/m1/s1.

What are the key properties of N-[1-[(2R,6R)-4-[[(6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-[6-(2-methylpropylamino)-4-oxo-5H-benzimidazol-1-yl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-ethylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide?

N-[1-[(2R,6R)-4-[[(6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-[6-(2-methylpropylamino)-4-oxo-5H-benzimidazol-1-yl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-ethylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide has a molecular weight of 2149.00 g/mol, XLogP of 4.14, 39 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2R,6R)-4-[[(6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(6R)-4-[dimethylamino-[[(3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]-6-[6-(2-methylpropylamino)-4-oxo-5H-benzimidazol-1-yl]morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-ethylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide is sourced from PubChem (CID 165085933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).