1-[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[piperazin-1-yl(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-piperazin-1-ylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione

C80H129N37O23P6 — CID 137072286

About 1-[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[piperazin-1-yl(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-piperazin-1-ylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione

1-[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[piperazin-1-yl(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-piperazin-1-ylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 137072286) has the molecular formula C80H129N37O23P6 and a molecular weight of 2162.99 g/mol. Its IUPAC name is 1-[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[piperazin-1-yl(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-piperazin-1-ylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[piperazin-1-yl(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-piperazin-1-ylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
• PubChem CID: 137072286
• Molecular Formula: C80H129N37O23P6
• Molecular Weight: 2162.99 g/mol
• Exact Mass: 2161.85
• IUPAC Name: 1-[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[piperazin-1-yl(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-piperazin-1-ylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
• SMILES: Cc1cn(C2CN(P(=O)(OCC3CN(P(=O)(OCC4CN(P(=O)(OCC5CN(C(C)C)CC(n6ccc(N)nc6=O)O5)N(C)C)CC(n5cnc6c(N)ncnc65)O4)N(C)C)CC(n4cnc5c(=O)[nH]c(N)nc54)O3)N(C)C)CC(COP(=O)(N3CCNCC3)N3CC(COP(=O)(N(C)C)N4CC(COP(=O)(C(C)C)N5CCNCC5)OC(n5cnc6c(N)ncnc65)C4)OC(n4ccc(N)nc4=O)C3)O2)c(=O)[nH]c1=O
• InChI: InChI=1S/C80H129N37O23P6/c1-50(2)104-27-53(135-61(33-104)112-20-14-59(81)95-78(112)120)40-130-143(125,101(8)9)109-29-55(139-65(37-109)116-48-93-68-71(84)89-46-91-73(68)116)41-132-145(127,103(12)13)110-30-56(140-66(38-110)117-49-94-69-74(117)97-77(85)98-76(69)119)42-131-142(124,100(6)7)107-31-57(137-63(35-107)114-26-52(5)75(118)99-80(114)122)44-134-146(128,106-24-18-87-19-25-106)111-32-58(136-62(34-111)113-21-15-60(82)96-79(113)121)43-133-144(126,102(10)11)108-28-54(39-129-141(123,51(3)4)105-22-16-86-17-23-105)138-64(36-108)115-47-92-67-70(83)88-45-90-72(67)115/h14-15,20-21,26,45-51,53-58,61-66,86-87H,16-19,22-25,27-44H2,1-13H3,(H2,81,95,120)(H2,82,96,121)(H2,83,88,90)(H2,84,89,91)(H,99,118,122)(H3,85,97,98,119)
• InChIKey: MNKPVNFIAFDMDC-UHFFFAOYSA-N
• XLogP: -0.01
• TPSA: 681.63 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 47
• Rotatable Bonds: 37
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2162.99
LogP ≤ 5	-0.01
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[piperazin-1-yl(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-piperazin-1-ylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?

The IUPAC name of 1-[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[piperazin-1-yl(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-piperazin-1-ylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione (CID 137072286) is 1-[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[piperazin-1-yl(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-piperazin-1-ylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione.

What is the SMILES notation for 1-[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[piperazin-1-yl(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-piperazin-1-ylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?

The canonical SMILES for 1-[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[piperazin-1-yl(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-piperazin-1-ylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn(C2CN(P(=O)(OCC3CN(P(=O)(OCC4CN(P(=O)(OCC5CN(C(C)C)CC(n6ccc(N)nc6=O)O5)N(C)C)CC(n5cnc6c(N)ncnc65)O4)N(C)C)CC(n4cnc5c(=O)[nH]c(N)nc54)O3)N(C)C)CC(COP(=O)(N3CCNCC3)N3CC(COP(=O)(N(C)C)N4CC(COP(=O)(C(C)C)N5CCNCC5)OC(n5cnc6c(N)ncnc65)C4)OC(n4ccc(N)nc4=O)C3)O2)c(=O)[nH]c1=O.

What is the InChIKey of 1-[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[piperazin-1-yl(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-piperazin-1-ylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?

The InChIKey is MNKPVNFIAFDMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H129N37O23P6/c1-50(2)104-27-53(135-61(33-104)112-20-14-59(81)95-78(112)120)40-130-143(125,101(8)9)109-29-55(139-65(37-109)116-48-93-68-71(84)89-46-91-73(68)116)41-132-145(127,103(12)13)110-30-56(140-66(38-110)117-49-94-69-74(117)97-77(85)98-76(69)119)42-131-142(124,100(6)7)107-31-57(137-63(35-107)114-26-52(5)75(118)99-80(114)122)44-134-146(128,106-24-18-87-19-25-106)111-32-58(136-62(34-111)113-21-15-60(82)96-79(113)121)43-133-144(126,102(10)11)108-28-54(39-129-141(123,51(3)4)105-22-16-86-17-23-105)138-64(36-108)115-47-92-67-70(83)88-45-90-72(67)115/h14-15,20-21,26,45-51,53-58,61-66,86-87H,16-19,22-25,27-44H2,1-13H3,(H2,81,95,120)(H2,82,96,121)(H2,83,88,90)(H2,84,89,91)(H,99,118,122)(H3,85,97,98,119).

What are the key properties of 1-[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[piperazin-1-yl(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-piperazin-1-ylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?

1-[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[piperazin-1-yl(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-piperazin-1-ylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 2162.99 g/mol, XLogP of -0.01, 37 rotatable bonds, 9 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(6-aminopurin-9-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[2-(6-aminopurin-9-yl)-6-[[piperazin-1-yl(propan-2-yl)phosphoryl]oxymethyl]morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-4-yl]-piperazin-1-ylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 137072286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).